N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide

C16H24N2O3 — CID 71787627

IUPACN'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
SMILESCC(C)(C)C(O)CCNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13(19)9-10-17-14(20)15(21)18-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFUNWADQDUCHMNG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.22
Rot. Bonds5

About N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide

N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide (PubChem CID 71787627) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
PubChem CID71787627
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
SMILESCC(C)(C)C(O)CCNC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)13(19)9-10-17-14(20)15(21)18-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFUNWADQDUCHMNG-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-Benzyl-2-acetamido-3-hydroxypropionamide
CID 10889901
Acetamide, 2-(diethylamino)-N-(phenylmethyl)-
CID 969777
N-benzyl-2-hydroxypropanamide
CID 223817
2-(benzylamino)-N-methylacetamide
CID 562459
N-benzyl-2-(methylamino)acetamide
CID 9815393
N-benzyl-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2901918
N-benzyl-N'-isobutylethanediamide
CID 2058082
N'-benzyl-N-(3-methylbutyl)oxamide
CID 1936789
(2S)-2-(benzylamino)-3-hydroxy-N-tetradecylpropanamide
CID 44253977
(+/-)-2-amino-4-hydroxy-N-(4-octylbenzyl)butanamide
CID 45483233
Acetamide, 2-(acetylamino)-N-(phenylmethyl)-
CID 9837153
N-Benzyl-L-serinamide
CID 11790078

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The IUPAC name of N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide (CID 71787627) is N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide.
What is the SMILES notation for N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The canonical SMILES for N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide is CC(C)(C)C(O)CCNC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
The InChIKey is FUNWADQDUCHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)13(19)9-10-17-14(20)15(21)18-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide?
N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-hydroxy-4,4-dimethylpentyl)oxamide is sourced from PubChem (CID 71787627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).