N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide

C15H31NO2 — CID 90523339

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-8-12(9-7-2)14(18)16-11-10-13(17)15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,16,18)
InChIKeyDJXIJDHXIZJRCJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds8

About N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide

N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide (PubChem CID 90523339) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
PubChem CID90523339
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C15H31NO2/c1-6-8-12(9-7-2)14(18)16-11-10-13(17)15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,16,18)
InChIKeyDJXIJDHXIZJRCJ-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,2-dimethylhexan-3-ol
CID 7004855
N-[(2S)-2-hydroxypropyl]-2-propylpentanamide
CID 10058650
N-octadecyl-2-octylicosanamide
CID 154636535
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576
2-butyl-N-(3-methylbutyl)octanamide
CID 167250980
2-ethyl-N-undecylpentanamide
CID 160695439
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749
N-(2-hydroxy-2,4-dimethylpentyl)-2-propylpentanamide
CID 82986949
2-ethylsulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984626
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
N'-cyclopropyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
CID 95984687

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide (CID 90523339) is N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide?
The InChIKey is DJXIJDHXIZJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-8-12(9-7-2)14(18)16-11-10-13(17)15(3,4)5/h12-13,17H,6-11H2,1-5H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide?
N-(3-hydroxy-4,4-dimethylpentyl)-2-propylpentanamide has a molecular weight of 257.42 g/mol, XLogP of 3.12, 8 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)-2-propylpentanamide is sourced from PubChem (CID 90523339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).