2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide

C14H22N2O2 — CID 107150571

IUPAC2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11(17)8-16-14(18)13-10(3)5-4-6-12(13)15/h4-6,9,11,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyODLUDHCJKOJSRZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.71
Rot. Bonds5

About 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide

2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide (PubChem CID 107150571) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
PubChem CID107150571
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11(17)8-16-14(18)13-10(3)5-4-6-12(13)15/h4-6,9,11,17H,7-8,15H2,1-3H3,(H,16,18)
InChIKeyODLUDHCJKOJSRZ-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.71
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

2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62993945
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
2-amino-N-(2-ethylhexyl)-6-methylbenzamide
CID 107819599
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide (CID 107150571) is 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide is Cc1cccc(N)c1C(=O)NCC(O)CC(C)C.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide?
The InChIKey is ODLUDHCJKOJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)7-11(17)8-16-14(18)13-10(3)5-4-6-12(13)15/h4-6,9,11,17H,7-8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide?
2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methylpentyl)-6-methylbenzamide is sourced from PubChem (CID 107150571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).