13-(dimethylamino)-16-methoxy-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-10-ol

C23H20NO4P — CID 143746598

IUPAC13-(dimethylamino)-16-methoxy-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-10-ol
SMILESCOc1cc2ccccc2c2c1op(N(C)C)oc1c(O)cc3ccccc3c12
InChIInChI=1S/C23H20NO4P/c1-24(2)29-27-22-18(25)12-14-8-4-6-10-16(14)20(22)21-17-11-7-5-9-15(17)13-19(26-3)23(21)28-29/h4-13,25H,1-3H3
InChIKeyKSIISOWMCTXQMK-UHFFFAOYSA-N
MW405.39 g/mol
LogP6.51
Rot. Bonds2

About 13-(dimethylamino)-16-methoxy-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-10-ol

13-(dimethylamino)-16-methoxy-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-10-ol (PubChem CID 143746598) has the molecular formula C23H20NO4P and a molecular weight of 405.39 g/mol. Its IUPAC name is 13-(dimethylamino)-16-methoxy-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-10-ol.

Molecular Properties

Compound Name13-(dimethylamino)-16-methoxy-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-10-ol
PubChem CID143746598
Molecular FormulaC23H20NO4P
Molecular Weight405.39 g/mol
Exact Mass405.11
IUPAC Name13-(dimethylamino)-16-methoxy-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-10-ol
SMILESCOc1cc2ccccc2c2c1op(N(C)C)oc1c(O)cc3ccccc3c12
InChIInChI=1S/C23H20NO4P/c1-24(2)29-27-22-18(25)12-14-8-4-6-10-16(14)20(22)21-17-11-7-5-9-15(17)13-19(26-3)23(21)28-29/h4-13,25H,1-3H3
InChIKeyKSIISOWMCTXQMK-UHFFFAOYSA-N
XLogP6.51
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.39
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-(dimethylamino)-16-methoxy-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-10-ol with MolForge

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Related Compounds

10-(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-10-ylmethoxymethyl)-N,N-dimethyl-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-methylmethanamine
CID 143277881
5-methoxybenzo[c]phenanthrene
CID 621003
4-methoxyphenanthren-2-ol
CID 139248183
10,14-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169260861
N,N-dimethyl-11,13-dioxa-12-phosphapentacyclo[12.7.1.12,6.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,14,16,18(22),19-decaen-12-amine
CID 11279832
6,7,8-trimethoxynaphthalen-1-ol
CID 15073678
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
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
10,13,16-trimethyl-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 23592736
10,16-dimethyl-N,N-bis[(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 11342076

Frequently Asked Questions

What is the IUPAC name of 13-(dimethylamino)-16-methoxy-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-10-ol?
The IUPAC name of 13-(dimethylamino)-16-methoxy-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-10-ol (CID 143746598) is 13-(dimethylamino)-16-methoxy-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-10-ol.
What is the SMILES notation for 13-(dimethylamino)-16-methoxy-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-10-ol?
The canonical SMILES for 13-(dimethylamino)-16-methoxy-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-10-ol is COc1cc2ccccc2c2c1op(N(C)C)oc1c(O)cc3ccccc3c12.
What is the InChIKey of 13-(dimethylamino)-16-methoxy-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-10-ol?
The InChIKey is KSIISOWMCTXQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO4P/c1-24(2)29-27-22-18(25)12-14-8-4-6-10-16(14)20(22)21-17-11-7-5-9-15(17)13-19(26-3)23(21)28-29/h4-13,25H,1-3H3.
What are the key properties of 13-(dimethylamino)-16-methoxy-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-10-ol?
13-(dimethylamino)-16-methoxy-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-10-ol has a molecular weight of 405.39 g/mol, XLogP of 6.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(dimethylamino)-16-methoxy-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-10-ol is sourced from PubChem (CID 143746598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).