N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide

C19H27N3O2 — CID 120989794

IUPACN-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)NCc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C19H27N3O2/c1-12(23)21-11-13-5-7-17(8-6-13)22-19(24)16-9-14-3-2-4-15(10-16)18(14)20/h5-8,14-16,18H,2-4,9-11,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQVVKZNIKRAJHW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.41
Rot. Bonds4

About N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide

N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989794) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989794
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)NCc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C19H27N3O2/c1-12(23)21-11-13-5-7-17(8-6-13)22-19(24)16-9-14-3-2-4-15(10-16)18(14)20/h5-8,14-16,18H,2-4,9-11,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRQVVKZNIKRAJHW-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-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

N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
ethyl 3-[4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]phenyl]propanoate
CID 120990507
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288
9-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986897
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
9-amino-N-[4-(2,2-difluoroethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991717

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide (CID 120989794) is N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide is CC(=O)NCc1ccc(NC(=O)C2CC3CCCC(C2)C3N)cc1.
What is the InChIKey of N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RQVVKZNIKRAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12(23)21-11-13-5-7-17(8-6-13)22-19(24)16-9-14-3-2-4-15(10-16)18(14)20/h5-8,14-16,18H,2-4,9-11,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).