N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide

C14H20N2O3 — CID 62334553

IUPACN-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)CC(C)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)14(19)15-8-13(18)16(3)9-11(2)17/h4-7,11,17H,8-9H2,1-3H3,(H,15,19)
InChIKeyZFALTZQLOJRPQM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.56
Rot. Bonds5

About N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 62334553) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID62334553
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)N(C)CC(C)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)14(19)15-8-13(18)16(3)9-11(2)17/h4-7,11,17H,8-9H2,1-3H3,(H,15,19)
InChIKeyZFALTZQLOJRPQM-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 107202831
4-[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43359941
N-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 43572908
3-methyl-N-[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9416961
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
3-methyl-N-phenacylbenzamide
CID 3417494
N-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 115695919
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide (CID 62334553) is N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)N(C)CC(C)O)c1.
What is the InChIKey of N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is ZFALTZQLOJRPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-4-6-12(7-10)14(19)15-8-13(18)16(3)9-11(2)17/h4-7,11,17H,8-9H2,1-3H3,(H,15,19).
What are the key properties of N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 62334553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).