3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

C15H24N2O2 — CID 119817771

IUPAC3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)8-12(6-7-18)10-17-15(19)13-4-3-5-14(16)9-13/h3-5,9,11-12,18H,6-8,10,16H2,1-2H3,(H,17,19)
InChIKeyOIGTZPCKSRRRHV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds7

About 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide

3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (PubChem CID 119817771) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
PubChem CID119817771
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
SMILESCC(C)CC(CCO)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)8-12(6-7-18)10-17-15(19)13-4-3-5-14(16)9-13/h3-5,9,11-12,18H,6-8,10,16H2,1-2H3,(H,17,19)
InChIKeyOIGTZPCKSRRRHV-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
3-acetamido-4-fluoro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111697564
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
2-chloro-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662482
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
3-amino-N-[(3S)-5-methyl-2-oxohexan-3-yl]benzamide
CID 163583328

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide (CID 119817771) is 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is CC(C)CC(CCO)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
The InChIKey is OIGTZPCKSRRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)8-12(6-7-18)10-17-15(19)13-4-3-5-14(16)9-13/h3-5,9,11-12,18H,6-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide?
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide is sourced from PubChem (CID 119817771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).