N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide

C14H21N3O2 — CID 76952952

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-12(11-7-5-4-6-8-11)14(18)16-9-10(2)13(15)17-19/h4-8,10,12,19H,3,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyPOLXPJUAPGVUTO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.68
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide (PubChem CID 76952952) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
PubChem CID76952952
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide
SMILESCCC(C(=O)NCC(C)C(N)=NO)c1ccccc1
InChIInChI=1S/C14H21N3O2/c1-3-12(11-7-5-4-6-8-11)14(18)16-9-10(2)13(15)17-19/h4-8,10,12,19H,3,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyPOLXPJUAPGVUTO-UHFFFAOYSA-N
XLogP1.68
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-phenylbutanamide
CID 55101948
4-methyl-5-(2-phenylbutanoylamino)pentanoic acid
CID 82017105
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77052059
(2-phenylbutanoylamino)urea
CID 63946462
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
(2R)-2-phenylbutanamide
CID 139147476
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide (CID 76952952) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide is CCC(C(=O)NCC(C)C(N)=NO)c1ccccc1.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide?
The InChIKey is POLXPJUAPGVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12(11-7-5-4-6-8-11)14(18)16-9-10(2)13(15)17-19/h4-8,10,12,19H,3,9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 76952952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).