N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide

C16H25NO2 — CID 71787577

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide
SMILESCC(C)(C)C(O)CCNC(=O)CCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19)
InChIKeyXIUUSSISROICLC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds6

About N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide

N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide (PubChem CID 71787577) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide
PubChem CID71787577
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide
SMILESCC(C)(C)C(O)CCNC(=O)CCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19)
InChIKeyXIUUSSISROICLC-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide (CID 71787577) is N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide is CC(C)(C)C(O)CCNC(=O)CCc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide?
The InChIKey is XIUUSSISROICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)14(18)11-12-17-15(19)10-9-13-7-5-4-6-8-13/h4-8,14,18H,9-12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide?
N-(3-hydroxy-4,4-dimethylpentyl)-3-phenylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 2.53, 6 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-phenylpropanamide is sourced from PubChem (CID 71787577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).