N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide

C13H17N3O4 — CID 108526364

IUPACN'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O4/c1-2-10(7-17)15-12(19)13(20)16-11(18)8-3-5-9(14)6-4-8/h3-6,10,17H,2,7,14H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyJFLXYDHYRKETMK-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.59
Rot. Bonds4

About N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide

N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide (PubChem CID 108526364) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide
PubChem CID108526364
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC NameN'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide
SMILESCCC(CO)NC(=O)C(=O)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O4/c1-2-10(7-17)15-12(19)13(20)16-11(18)8-3-5-9(14)6-4-8/h3-6,10,17H,2,7,14H2,1H3,(H,15,19)(H,16,18,20)
InChIKeyJFLXYDHYRKETMK-UHFFFAOYSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
4-amino-N-hexan-3-ylbenzamide
CID 62094734
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
4-chloro-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162132
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-amino-N-butan-2-ylbenzamide
CID 3503917
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
6-amino-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 124514500
N'-(4-aminobenzoyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530028
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide (CID 108526364) is N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide is CCC(CO)NC(=O)C(=O)NC(=O)c1ccc(N)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide?
The InChIKey is JFLXYDHYRKETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-10(7-17)15-12(19)13(20)16-11(18)8-3-5-9(14)6-4-8/h3-6,10,17H,2,7,14H2,1H3,(H,15,19)(H,16,18,20).
What are the key properties of N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide?
N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide has a molecular weight of 279.30 g/mol, XLogP of -0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(1-hydroxybutan-2-yl)oxamide is sourced from PubChem (CID 108526364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).