4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide

C17H26N2O2 — CID 104782852

IUPAC4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
SMILESCCC(NC(=O)c1ccc(N)c(OC)c1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-15(12-7-5-4-6-8-12)19-17(20)13-9-10-14(18)16(11-13)21-2/h9-12,15H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyKDBGCRUOOIYINF-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.37
Rot. Bonds5

About 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide

4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide (PubChem CID 104782852) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
PubChem CID104782852
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
SMILESCCC(NC(=O)c1ccc(N)c(OC)c1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-3-15(12-7-5-4-6-8-12)19-17(20)13-9-10-14(18)16(11-13)21-2/h9-12,15H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyKDBGCRUOOIYINF-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

methyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]-3-cyclohexylpropanoate
CID 90859031
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N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
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4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
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CID 119592013
4-amino-3-methoxy-N-pent-1-yn-3-ylbenzamide
CID 114160322
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide (CID 104782852) is 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide is CCC(NC(=O)c1ccc(N)c(OC)c1)C1CCCCC1.
What is the InChIKey of 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide?
The InChIKey is KDBGCRUOOIYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(12-7-5-4-6-8-12)19-17(20)13-9-10-14(18)16(11-13)21-2/h9-12,15H,3-8,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide?
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 104782852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).