2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide

C17H26N2O2 — CID 115412843

IUPAC2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(OC)cc2N)CC1
InChIInChI=1S/C17H26N2O2/c1-3-12-4-6-13(7-5-12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h8-10,12-13H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyULPOABJBMQPMMD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide

2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 115412843) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
PubChem CID115412843
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(OC)cc2N)CC1
InChIInChI=1S/C17H26N2O2/c1-3-12-4-6-13(7-5-12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h8-10,12-13H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyULPOABJBMQPMMD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 106124081
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115413552
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594
2-amino-N-(2-hydroxy-3-methoxypropyl)-4-methoxybenzamide
CID 113305193

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide (CID 115412843) is 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide is CCC1CCC(CNC(=O)c2ccc(OC)cc2N)CC1.
What is the InChIKey of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is ULPOABJBMQPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12-4-6-13(7-5-12)11-19-17(20)15-9-8-14(21-2)10-16(15)18/h8-10,12-13H,3-7,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide?
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 115412843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).