4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide

C17H26N2O2 — CID 107207952

IUPAC4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-12(13-7-5-3-4-6-8-13)19-17(20)15-10-9-14(18)11-16(15)21-2/h9-13H,3-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyLJMHFEZHSNGEKR-GFCCVEGCSA-N
MW290.41 g/mol
LogP3.37
Rot. Bonds4

About 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide

4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide (PubChem CID 107207952) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
PubChem CID107207952
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide
SMILESCOc1cc(N)ccc1C(=O)N[C@H](C)C1CCCCCC1
InChIInChI=1S/C17H26N2O2/c1-12(13-7-5-3-4-6-8-13)19-17(20)15-10-9-14(18)11-16(15)21-2/h9-13H,3-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyLJMHFEZHSNGEKR-GFCCVEGCSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.37
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

4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
2-amino-N-[(1R)-1-cyclohexylethyl]-5-methoxybenzamide
CID 115413669
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
N-(1-cyclobutylethyl)-2-methoxy-5-sulfamoylbenzamide
CID 115769101
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763
N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide (CID 107207952) is 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide is COc1cc(N)ccc1C(=O)N[C@H](C)C1CCCCCC1.
What is the InChIKey of 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide?
The InChIKey is LJMHFEZHSNGEKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(13-7-5-3-4-6-8-13)19-17(20)15-10-9-14(18)11-16(15)21-2/h9-13H,3-8,18H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide?
4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-cycloheptylethyl]-2-methoxybenzamide is sourced from PubChem (CID 107207952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).