3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide

C15H23NO3 — CID 84592385

IUPAC3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide
SMILESCCC(NC(=O)CC(O)C(C)C)c1ccccc1O
InChIInChI=1S/C15H23NO3/c1-4-12(11-7-5-6-8-13(11)17)16-15(19)9-14(18)10(2)3/h5-8,10,12,14,17-18H,4,9H2,1-3H3,(H,16,19)
InChIKeyMTDCZMJNEHOSRL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds6

About 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide

3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide (PubChem CID 84592385) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide
PubChem CID84592385
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide
SMILESCCC(NC(=O)CC(O)C(C)C)c1ccccc1O
InChIInChI=1S/C15H23NO3/c1-4-12(11-7-5-6-8-13(11)17)16-15(19)9-14(18)10(2)3/h5-8,10,12,14,17-18H,4,9H2,1-3H3,(H,16,19)
InChIKeyMTDCZMJNEHOSRL-UHFFFAOYSA-N
XLogP2.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
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CID 61021836
2-[1-(methylamino)propyl]phenol
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2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
2-[1-(methoxyamino)propyl]phenol
CID 82706320
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
CID 99822871
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide?
The IUPAC name of 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide (CID 84592385) is 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide.
What is the SMILES notation for 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide?
The canonical SMILES for 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide is CCC(NC(=O)CC(O)C(C)C)c1ccccc1O.
What is the InChIKey of 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide?
The InChIKey is MTDCZMJNEHOSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-12(11-7-5-6-8-13(11)17)16-15(19)9-14(18)10(2)3/h5-8,10,12,14,17-18H,4,9H2,1-3H3,(H,16,19).
What are the key properties of 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide?
3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide has a molecular weight of 265.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(2-hydroxyphenyl)propyl]-4-methylpentanamide is sourced from PubChem (CID 84592385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).