N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide

C16H23NO2 — CID 71960774

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide
SMILESCC(C)(C)C(O)CCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11-12H2,1-3H3,(H,17,19)
InChIKeyNCRWBDNHCDWNFD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.61
Rot. Bonds5

About N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide

N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide (PubChem CID 71960774) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide
PubChem CID71960774
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide
SMILESCC(C)(C)C(O)CCNC(=O)C=Cc1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11-12H2,1-3H3,(H,17,19)
InChIKeyNCRWBDNHCDWNFD-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Idrocilamide
CID 1550874
Cinnamamide, N-(2-hydroxypropyl)-
CID 6434084
Cinnamamide, N-(2-hydroxy-1-methylethyl)-
CID 6434086
(2E)-N-pentyl-3-phenylprop-2-enamide
CID 5385502
(2E,4E)-N-(2-phenylethyl)deca-2,4-dienamide
CID 14015869
2,4-Hexadienamide, N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
CID 6449397
Cinnamamide, N-(3-hydroxypropyl)-
CID 5877832
N-(1-(Hydroxymethyl)propyl)cinnamamide
CID 5801120
(2E,4Z)-N-(2-phenylethyl)deca-2,4-dienamide
CID 164628674
(R,S)-(2E)-N-(1-Hydroxybutan-2-yl)-3-phenylprop-2-enamide
CID 15442907
(E)-N-(1-hydroxypropan-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 43419211
(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide
CID 10448466

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide (CID 71960774) is N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide is CC(C)(C)C(O)CCNC(=O)C=Cc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide?
The InChIKey is NCRWBDNHCDWNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-10,14,18H,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide?
N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 71960774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).