4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide

C14H21N3O3 — CID 64683641

IUPAC4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(N)CC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,15)9-12(19)17-11-5-3-10(4-6-11)13(20)16-7-8-18/h3-6,18H,7-9,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyHKHZOWMBONYGND-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.47
Rot. Bonds6

About 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide

4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 64683641) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
PubChem CID64683641
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide
SMILESCC(C)(N)CC(=O)Nc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,15)9-12(19)17-11-5-3-10(4-6-11)13(20)16-7-8-18/h3-6,18H,7-9,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyHKHZOWMBONYGND-UHFFFAOYSA-N
XLogP0.47
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-amino-3-methylbutanoyl)amino]-N-ethylbenzamide
CID 64684848
4-[(2-aminoacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 43710446
4-[(2-ethoxyacetyl)amino]-N-(2-hydroxyethyl)benzamide
CID 64590775
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
4-[[2-(ethylamino)-2-methylpropanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 62833619
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
4-(5-bromopentanoylamino)-N-(2-hydroxyethyl)benzamide
CID 107908924
2-hydroxyethyl N-[4-(2-hydroxyethylcarbamoyl)phenyl]carbamate
CID 79346016
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
N-(2-hydroxyethyl)-4-[[2-(5-sulfamoylthiophen-2-yl)acetyl]amino]benzamide
CID 154845795
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide (CID 64683641) is 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide is CC(C)(N)CC(=O)Nc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is HKHZOWMBONYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,15)9-12(19)17-11-5-3-10(4-6-11)13(20)16-7-8-18/h3-6,18H,7-9,15H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide?
4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-methylbutanoyl)amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 64683641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).