N-[(1S)-1-(2-methoxyphenyl)ethyl]-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

C37H32NO3P — CID 57332449

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-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
SMILESCOc1ccccc1[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C37H32NO3P/c1-25(27-13-5-4-6-14-27)38(26(2)30-17-11-12-20-33(30)39-3)42-40-34-23-21-28-15-7-9-18-31(28)36(34)37-32-19-10-8-16-29(32)22-24-35(37)41-42/h4-26H,1-3H3/t25-,26-/m0/s1
InChIKeyWSLOIWATFCFQHN-UIOOFZCWSA-N
MW569.64 g/mol
LogP11.07
Rot. Bonds6

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-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

N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 (PubChem CID 57332449) has the molecular formula C37H32NO3P and a molecular weight of 569.64 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-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.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-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
PubChem CID57332449
Molecular FormulaC37H32NO3P
Molecular Weight569.64 g/mol
Exact Mass569.21
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-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
SMILESCOc1ccccc1[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1
InChIInChI=1S/C37H32NO3P/c1-25(27-13-5-4-6-14-27)38(26(2)30-17-11-12-20-33(30)39-3)42-40-34-23-21-28-15-7-9-18-31(28)36(34)37-32-19-10-8-16-29(32)22-24-35(37)41-42/h4-26H,1-3H3/t25-,26-/m0/s1
InChIKeyWSLOIWATFCFQHN-UIOOFZCWSA-N
XLogP11.07
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.64
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 with MolForge

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Related Compounds

(11bS)-N,N-Bis[(S)-(+)-1-(2-methoxyphenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11296345
N-Benzyl-N-methyldinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 11453323
N,N-Bis((R)-1-phenylethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 10886035
(11bR)-N,N-Bis((R)-(-)-1-(2-methoxyphenyl)ethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2) dioxaphosphepin-4-amine
CID 11387829
(S)-2-(1-Naphthyl)-8-diphenylphosphino-1-[(R)-3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl]-1,2-dihydroquinoline toluene adduct, min. 97% (Ra,Sc)-(1-Nph)-
CID 89405071
1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)piperidine
CID 11429465
N,N-Bis((S)-1-phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11731247
11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 12128642
N-[(1S)-1-phenylethyl]-N-[(1R)-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 21944153
13-(2-Methoxyphenyl)-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-decaene
CID 59827443
N,N-bis[(1S)-1-phenylethyl]-10,16-bis(trifluoromethyl)-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 52915833
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1,2,10,11-tetramethyl-N-[(1S)-1-naphthalen-2-ylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
CID 11556030

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-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?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 57332449) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-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.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-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?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 is COc1ccccc1[C@H](C)N([C@@H](C)c1ccccc1)p1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-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?
The InChIKey is WSLOIWATFCFQHN-UIOOFZCWSA-N. The full InChI is InChI=1S/C37H32NO3P/c1-25(27-13-5-4-6-14-27)38(26(2)30-17-11-12-20-33(30)39-3)42-40-34-23-21-28-15-7-9-18-31(28)36(34)37-32-19-10-8-16-29(32)22-24-35(37)41-42/h4-26H,1-3H3/t25-,26-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-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?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 has a molecular weight of 569.64 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-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 is sourced from PubChem (CID 57332449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).