(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

C23H29N3O2 — CID 74232773

IUPAC(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)C3N(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-25(2)22-17-11-12-18(22)15-26(14-17)23(27)24-21-10-5-4-9-20(21)16-7-6-8-19(13-16)28-3/h4-10,13,17-18,22H,11-12,14-15H2,1-3H3,(H,24,27)/t17-,18+,22?
InChIKeyBXCAAEKNJPFBAP-VSOVRNOCSA-N
MW379.50 g/mol
LogP4.17
Rot. Bonds4

About (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide

(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 74232773) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID74232773
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOc1cccc(-c2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)C3N(C)C)c1
InChIInChI=1S/C23H29N3O2/c1-25(2)22-17-11-12-18(22)15-26(14-17)23(27)24-21-10-5-4-9-20(21)16-7-6-8-19(13-16)28-3/h4-10,13,17-18,22H,11-12,14-15H2,1-3H3,(H,24,27)/t17-,18+,22?
InChIKeyBXCAAEKNJPFBAP-VSOVRNOCSA-N
XLogP4.17
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

(3R)-3-amino-N-[2-(3-methoxyphenyl)phenyl]piperidine-1-carboxamide
CID 125164364
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511
(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125168037
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-2-carbonyl)piperidine-4-carboxamide
CID 171686778
(1R,5S)-8-hydroxy-N-(4-methoxy-2-methylphenyl)-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 118789979
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
CID 24733705
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
N-(2-ethoxyphenyl)-3-(3-methoxyphenoxy)azetidine-1-carboxamide
CID 131927828
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide (CID 74232773) is (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is COc1cccc(-c2ccccc2NC(=O)N2C[C@H]3CC[C@@H](C2)C3N(C)C)c1.
What is the InChIKey of (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is BXCAAEKNJPFBAP-VSOVRNOCSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(2)22-17-11-12-18(22)15-26(14-17)23(27)24-21-10-5-4-9-20(21)16-7-6-8-19(13-16)28-3/h4-10,13,17-18,22H,11-12,14-15H2,1-3H3,(H,24,27)/t17-,18+,22?.
What are the key properties of (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide?
(1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-(dimethylamino)-N-[2-(3-methoxyphenyl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 74232773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).