N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide

C18H22N2O — CID 93452521

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c19-16-10-3-4-11-17(16)20-18(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16-17H,3-4,10-12,19H2,(H,20,21)/t16-,17-/m1/s1
InChIKeyKQECGXXRPVTPPI-IAGOWNOFSA-N
MW282.39 g/mol
LogP2.77
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide (PubChem CID 93452521) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
PubChem CID93452521
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22N2O/c19-16-10-3-4-11-17(16)20-18(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16-17H,3-4,10-12,19H2,(H,20,21)/t16-,17-/m1/s1
InChIKeyKQECGXXRPVTPPI-IAGOWNOFSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573655
N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
CID 119591137
N-[(1R,2R)-2-aminocyclohexyl]-2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 70246387
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
[2-(cyclooctylamino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625308
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
2-naphthalen-1-yl-N-piperidin-3-ylacetamide;hydrochloride
CID 119427587

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide (CID 93452521) is N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide is N[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide?
The InChIKey is KQECGXXRPVTPPI-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22N2O/c19-16-10-3-4-11-17(16)20-18(21)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16-17H,3-4,10-12,19H2,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide has a molecular weight of 282.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 93452521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).