N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

C15H22N2O4 — CID 103602596

IUPACN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCCC(CO)(CO)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O4/c1-3-15(9-18,10-19)17-13(20)8-16-14(21)12-6-4-5-11(2)7-12/h4-7,18-19H,3,8-10H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyDZAHXPGKMQCLDW-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.03
Rot. Bonds7

About N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 103602596) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID103602596
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCCC(CO)(CO)NC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O4/c1-3-15(9-18,10-19)17-13(20)8-16-14(21)12-6-4-5-11(2)7-12/h4-7,18-19H,3,8-10H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyDZAHXPGKMQCLDW-UHFFFAOYSA-N
XLogP-0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(hydroxymethyl)pentan-3-ylamino]-2-oxoethyl]benzamide
CID 62520110
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methylbenzamide
CID 107868007
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103602259
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
2-hydroxyethyl 2-[(3-methylbenzoyl)amino]acetate
CID 70795612
3-methyl-N-phenacylbenzamide
CID 3417494
2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 66172158
4-hydroxy-2-[[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 61242923
N-[3-(hydroxymethyl)pentan-3-yl]-3-(3-methylphenyl)propanamide
CID 62521751

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 103602596) is N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is CCC(CO)(CO)NC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is DZAHXPGKMQCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-15(9-18,10-19)17-13(20)8-16-14(21)12-6-4-5-11(2)7-12/h4-7,18-19H,3,8-10H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of -0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 103602596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).