4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide

C13H19N3O3 — CID 83177077

IUPAC4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
SMILESCC(CCO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(6-7-17)16-12(18)8-15-13(19)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyYPDVKRSAFCSDQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.11
Rot. Bonds6

About 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide

4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide (PubChem CID 83177077) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
PubChem CID83177077
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
SMILESCC(CCO)NC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O3/c1-9(6-7-17)16-12(18)8-15-13(19)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyYPDVKRSAFCSDQE-UHFFFAOYSA-N
XLogP-0.11
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
4-amino-N-[2-(4-hydroxypentylamino)-2-oxoethyl]benzamide
CID 106134450
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-amino-N-[2-(2-methoxypropylamino)-2-oxoethyl]benzamide
CID 102695091
4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
CID 106230565
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide (CID 83177077) is 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide is CC(CCO)NC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide?
The InChIKey is YPDVKRSAFCSDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(6-7-17)16-12(18)8-15-13(19)10-2-4-11(14)5-3-10/h2-5,9,17H,6-8,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 83177077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).