9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C22H32N2O3 — CID 120985463

IUPAC9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-8-9-20(27-2)17(12-19)13-24(18-6-7-18)22(25)16-10-14-4-3-5-15(11-16)21(14)23/h8-9,12,14-16,18,21H,3-7,10-11,13,23H2,1-2H3
InChIKeyMVJITYGOBBSSKZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.35
Rot. Bonds6

About 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985463) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985463
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)c1
InChIInChI=1S/C22H32N2O3/c1-26-19-8-9-20(27-2)17(12-19)13-24(18-6-7-18)22(25)16-10-14-4-3-5-15(11-16)21(14)23/h8-9,12,14-16,18,21H,3-7,10-11,13,23H2,1-2H3
InChIKeyMVJITYGOBBSSKZ-UHFFFAOYSA-N
XLogP3.35
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119286963
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985111
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 33081307
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120985463) is 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(OC)c(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)c1.
What is the InChIKey of 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is MVJITYGOBBSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-26-19-8-9-20(27-2)17(12-19)13-24(18-6-7-18)22(25)16-10-14-4-3-5-15(11-16)21(14)23/h8-9,12,14-16,18,21H,3-7,10-11,13,23H2,1-2H3.
What are the key properties of 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).