N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide

C16H23NO3 — CID 111461166

IUPACN-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-7-5-13(6-8-14)16(19)17-10-9-15(18)12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyNJKDPRDVTCBKBJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.39
Rot. Bonds8

About N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide

N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide (PubChem CID 111461166) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
PubChem CID111461166
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCCC(O)C(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-7-5-13(6-8-14)16(19)17-10-9-15(18)12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H,17,19)
InChIKeyNJKDPRDVTCBKBJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
N-[(E)-pent-3-enyl]-4-prop-2-enoxybenzamide
CID 115627677
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-prop-2-enoxybenzamide
CID 103843312
2-chloro-N-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]benzamide
CID 46461330
2-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 106107483
2,2-dimethyl-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 81367554
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide (CID 111461166) is N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCCC(O)C(C)C)cc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide?
The InChIKey is NJKDPRDVTCBKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-20-14-7-5-13(6-8-14)16(19)17-10-9-15(18)12(2)3/h4-8,12,15,18H,1,9-11H2,2-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide?
N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 111461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).