N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 120984718

IUPACN-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12(23)22-17-7-5-13(6-8-17)11-21-19(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,21,24)(H,22,23);1H
InChIKeyYKDLNQXYJZFFCT-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.84
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984718) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984718
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12(23)22-17-7-5-13(6-8-17)11-21-19(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,21,24)(H,22,23);1H
InChIKeyYKDLNQXYJZFFCT-UHFFFAOYSA-N
XLogP2.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
CID 64822288
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
9-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986897
9-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984689
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]-2-methoxybenzoate;hydrochloride
CID 120985040
9-amino-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987588
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]furan-2-carboxylate
CID 120994216

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984718) is N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(=O)Nc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1.Cl.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YKDLNQXYJZFFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-12(23)22-17-7-5-13(6-8-17)11-21-19(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,21,24)(H,22,23);1H.
What are the key properties of N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).