2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide

C16H24N2O2 — CID 115413669

IUPAC2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N[C@H](C)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(20-2)8-9-15(14)17/h8-12H,3-7,17H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyYBOHHTSDMWILBX-LLVKDONJSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide

2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide (PubChem CID 115413669) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
PubChem CID115413669
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N[C@H](C)C2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(20-2)8-9-15(14)17/h8-12H,3-7,17H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyYBOHHTSDMWILBX-LLVKDONJSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
CID 107207952
methyl 2-[(2-amino-5-methoxybenzoyl)amino]propanoate
CID 54959759
methyl 2-[(2-amino-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 60954752
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
6-amino-N-(1-cyclohexylethyl)-1,3-benzodioxole-5-carboxamide
CID 103543073
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
2-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2,5-dimethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474046

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide (CID 115413669) is 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)N[C@H](C)C2CCCCC2)c1.
What is the InChIKey of 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide?
The InChIKey is YBOHHTSDMWILBX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-6-4-3-5-7-12)18-16(19)14-10-13(20-2)8-9-15(14)17/h8-12H,3-7,17H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide?
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide is sourced from PubChem (CID 115413669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).