4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide

C14H21N3O3 — CID 78964466

IUPAC4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(C)(C)O
InChIInChI=1S/C14H21N3O3/c1-14(2,20)9-17(3)8-12(18)16-11-6-4-10(5-7-11)13(15)19/h4-7,20H,8-9H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyOAUFDPSEPKHPOM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.43
Rot. Bonds6

About 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide

4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide (PubChem CID 78964466) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
PubChem CID78964466
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(C)(C)O
InChIInChI=1S/C14H21N3O3/c1-14(2,20)9-17(3)8-12(18)16-11-6-4-10(5-7-11)13(15)19/h4-7,20H,8-9H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyOAUFDPSEPKHPOM-UHFFFAOYSA-N
XLogP0.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79385071
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
N-(4-bromo-3-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964685
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
4-[[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]amino]benzamide
CID 9252422
4-[[2-[methyl(2-phenylsulfanylethyl)amino]acetyl]amino]benzamide
CID 91843825
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 31378107
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide (CID 78964466) is 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(C)(C)O.
What is the InChIKey of 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide?
The InChIKey is OAUFDPSEPKHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,20)9-17(3)8-12(18)16-11-6-4-10(5-7-11)13(15)19/h4-7,20H,8-9H2,1-3H3,(H2,15,19)(H,16,18).
What are the key properties of 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide?
4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 78964466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).