N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide

C15H21NO3 — CID 115767251

IUPACN-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC(CC)CCO
InChIInChI=1S/C15H21NO3/c1-3-11-19-14-8-6-5-7-13(14)15(18)16-12(4-2)9-10-17/h3,5-8,12,17H,1,4,9-11H2,2H3,(H,16,18)
InChIKeyMDUZZWWISCWEPV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.14
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide

N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide (PubChem CID 115767251) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
PubChem CID115767251
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC(CC)CCO
InChIInChI=1S/C15H21NO3/c1-3-11-19-14-8-6-5-7-13(14)15(18)16-12(4-2)9-10-17/h3,5-8,12,17H,1,4,9-11H2,2H3,(H,16,18)
InChIKeyMDUZZWWISCWEPV-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
(2S)-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 107564143
N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
CID 103725734
N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
5-[(2-prop-2-enoxybenzoyl)amino]hexanoic acid
CID 82845336
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-(1-hydroxypentan-3-yl)-2,3,4-trimethoxybenzamide
CID 115735137
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-ethyl-2-[(2-prop-2-enoxybenzoyl)amino]butanoic acid
CID 79813929
N'-hexanoyl-2-prop-2-enoxybenzohydrazide
CID 4953986

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide (CID 115767251) is N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NC(CC)CCO.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide?
The InChIKey is MDUZZWWISCWEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-11-19-14-8-6-5-7-13(14)15(18)16-12(4-2)9-10-17/h3,5-8,12,17H,1,4,9-11H2,2H3,(H,16,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide?
N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide has a molecular weight of 263.34 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-2-prop-2-enoxybenzamide is sourced from PubChem (CID 115767251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).