4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

C15H21NO3 — CID 111463682

IUPAC4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)15(3,19)10-16-14(18)13-7-5-12(9-17)6-8-13/h5-9,11,19H,4,10H2,1-3H3,(H,16,18)
InChIKeyMAUQJHYLJWAPDD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds6

About 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (PubChem CID 111463682) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.

Molecular Properties

Compound Name4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
PubChem CID111463682
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C15H21NO3/c1-4-11(2)15(3,19)10-16-14(18)13-7-5-12(9-17)6-8-13/h5-9,11,19H,4,10H2,1-3H3,(H,16,18)
InChIKeyMAUQJHYLJWAPDD-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-hydroxy-2,3-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111463618
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
N-(2-hydroxy-2,3-dimethylpentyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111446448
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-(2-hydroxy-2,3-dimethylpentyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 111477987
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
4-[[(2-hydroxy-2,3-dimethylpentyl)carbamoylamino]methyl]benzoic acid
CID 122021168
N-butyl-4-formylbenzamide
CID 118474745

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The IUPAC name of 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (CID 111463682) is 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.
What is the SMILES notation for 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The canonical SMILES for 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is CCC(C)C(C)(O)CNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The InChIKey is MAUQJHYLJWAPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11(2)15(3,19)10-16-14(18)13-7-5-12(9-17)6-8-13/h5-9,11,19H,4,10H2,1-3H3,(H,16,18).
What are the key properties of 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is sourced from PubChem (CID 111463682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).