(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

C35H41NO2 — CID 130292236

IUPAC(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@]3(C)CCC(CC5CC5)[C@H](C4)[C@@H]3C)cc2)c1
InChIInChI=1S/C35H41NO2/c1-23-32-21-29-13-14-30(22-33(29)35(23,2)17-15-28(32)19-25-7-8-25)34(37)36-18-16-24-9-11-26(12-10-24)27-5-4-6-31(20-27)38-3/h4-6,9-14,20,22-23,25,28,32H,7-8,15-19,21H2,1-3H3,(H,36,37)/t23-,28?,32+,35+/m0/s1
InChIKeyLXNSKGVTSFBSNT-FTZYVDIASA-N
MW507.72 g/mol
LogP7.61
Rot. Bonds8

About (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (PubChem CID 130292236) has the molecular formula C35H41NO2 and a molecular weight of 507.72 g/mol. Its IUPAC name is (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
PubChem CID130292236
Molecular FormulaC35H41NO2
Molecular Weight507.72 g/mol
Exact Mass507.31
IUPAC Name(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
SMILESCOc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@]3(C)CCC(CC5CC5)[C@H](C4)[C@@H]3C)cc2)c1
InChIInChI=1S/C35H41NO2/c1-23-32-21-29-13-14-30(22-33(29)35(23,2)17-15-28(32)19-25-7-8-25)34(37)36-18-16-24-9-11-26(12-10-24)27-5-4-6-31(20-27)38-3/h4-6,9-14,20,22-23,25,28,32H,7-8,15-19,21H2,1-3H3,(H,36,37)/t23-,28?,32+,35+/m0/s1
InChIKeyLXNSKGVTSFBSNT-FTZYVDIASA-N
XLogP7.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.72
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 58443230
1-[(1S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-4-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trienyl]-4-[4-(6-methyl-3-pyridinyl)phenyl]butan-1-one
CID 130292178
(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-[4-(1H-pyrrol-3-yl)phenyl]ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 130287805
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
(1R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-[4-(2H-pyrrol-4-yl)phenyl]ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 157309645
(1S,9S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-(5-phenyl-2-pyridinyl)ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 71579829
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-[2-[4-[(E)-1-(2-methylidenehydrazinyl)prop-1-en-2-yl]phenyl]ethyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 139326276
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004

Frequently Asked Questions

What is the IUPAC name of (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide (CID 130292236) is (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@]3(C)CCC(CC5CC5)[C@H](C4)[C@@H]3C)cc2)c1.
What is the InChIKey of (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
The InChIKey is LXNSKGVTSFBSNT-FTZYVDIASA-N. The full InChI is InChI=1S/C35H41NO2/c1-23-32-21-29-13-14-30(22-33(29)35(23,2)17-15-28(32)19-25-7-8-25)34(37)36-18-16-24-9-11-26(12-10-24)27-5-4-6-31(20-27)38-3/h4-6,9-14,20,22-23,25,28,32H,7-8,15-19,21H2,1-3H3,(H,36,37)/t23-,28?,32+,35+/m0/s1.
What are the key properties of (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide?
(1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide has a molecular weight of 507.72 g/mol, XLogP of 7.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,13S)-10-(cyclopropylmethyl)-N-[2-[4-(3-methoxyphenyl)phenyl]ethyl]-1,13-dimethyltricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 130292236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).