N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine

C38H36NO4P — CID 129083067

IUPACN-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine
SMILESCOc1ccccc1C(c1ccccc1OC)N(C(C)C)p1oc2c(c3c(ccc4ccccc43)o1)-c1ccccc1CC2
InChIInChI=1S/C38H36NO4P/c1-25(2)39(38(30-17-9-11-19-32(30)40-3)31-18-10-12-20-33(31)41-4)44-42-34-23-21-26-13-5-7-15-28(26)36(34)37-29-16-8-6-14-27(29)22-24-35(37)43-44/h5-21,23,25,38H,22,24H2,1-4H3
InChIKeyHWGHLZXKBMRXFX-UHFFFAOYSA-N
MW601.68 g/mol
LogP10.21
Rot. Bonds7

About N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine

N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine (PubChem CID 129083067) has the molecular formula C38H36NO4P and a molecular weight of 601.68 g/mol. Its IUPAC name is N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine.

Molecular Properties

Compound NameN-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine
PubChem CID129083067
Molecular FormulaC38H36NO4P
Molecular Weight601.68 g/mol
Exact Mass601.24
IUPAC NameN-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine
SMILESCOc1ccccc1C(c1ccccc1OC)N(C(C)C)p1oc2c(c3c(ccc4ccccc43)o1)-c1ccccc1CC2
InChIInChI=1S/C38H36NO4P/c1-25(2)39(38(30-17-9-11-19-32(30)40-3)31-18-10-12-20-33(31)41-4)44-42-34-23-21-26-13-5-7-15-28(26)36(34)37-29-16-8-6-14-27(29)22-24-35(37)43-44/h5-21,23,25,38H,22,24H2,1-4H3
InChIKeyHWGHLZXKBMRXFX-UHFFFAOYSA-N
XLogP10.21
TPSA47.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.68
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine with MolForge

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Related Compounds

N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11731247
N-bis(2-methoxyphenyl)phosphanyl-N-methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 118056691
N-[(1R)-1-phenylethyl]-N-[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;sulfane
CID 160858806
CID 52921525
CID 52921525
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
9,10-dihydrophenanthrene;phenanthrene
CID 159340402
N,N-bis(1-naphthalen-1-ylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N,N-bis(1-naphthalen-2-ylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;N,N-bis(1-phenylethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-amine;N,N-bis(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 158215453
N,N-bis[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine;copper(1+);trifluoromethanesulfonate
CID 71657966
(14S)-4-(2,6-dimethoxyphenyl)-14-methyl-12-oxa-15-azapentacyclo[15.7.1.02,11.05,10.021,25]pentacosa-1(24),2(11),3,5,7,9,15,17,19,21(25),22-undecaen-16-amine
CID 46209817
8-methoxybenzo[a]xanthen-12-one
CID 135193701
N-[(Z,2S)-hex-4-en-2-yl]-N-[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 143241818
N-(cyclododecahexaenyl)-N-[(1R)-1-naphthalen-1-ylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 143137489

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine?
The IUPAC name of N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine (CID 129083067) is N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine.
What is the SMILES notation for N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine?
The canonical SMILES for N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine is COc1ccccc1C(c1ccccc1OC)N(C(C)C)p1oc2c(c3c(ccc4ccccc43)o1)-c1ccccc1CC2.
What is the InChIKey of N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine?
The InChIKey is HWGHLZXKBMRXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36NO4P/c1-25(2)39(38(30-17-9-11-19-32(30)40-3)31-18-10-12-20-33(31)41-4)44-42-34-23-21-26-13-5-7-15-28(26)36(34)37-29-16-8-6-14-27(29)22-24-35(37)43-44/h5-21,23,25,38H,22,24H2,1-4H3.
What are the key properties of N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine?
N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine has a molecular weight of 601.68 g/mol, XLogP of 10.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-methoxyphenyl)methyl]-N-propan-2-yl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,18,20,22-nonaen-13-amine is sourced from PubChem (CID 129083067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).