N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide

C20H24N4O3 — CID 54831751

IUPACN-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(C)=O)c2)ccc1C
InChIInChI=1S/C20H24N4O3/c1-4-19(26)24-18-11-17(9-8-13(18)2)23-20(27)12-21-15-6-5-7-16(10-15)22-14(3)25/h5-11,21H,4,12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyKYTQLPSFSQFWOG-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.35
Rot. Bonds7

About N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide (PubChem CID 54831751) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
PubChem CID54831751
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(C)=O)c2)ccc1C
InChIInChI=1S/C20H24N4O3/c1-4-19(26)24-18-11-17(9-8-13(18)2)23-20(27)12-21-15-6-5-7-16(10-15)22-14(3)25/h5-11,21H,4,12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyKYTQLPSFSQFWOG-UHFFFAOYSA-N
XLogP3.35
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
N-[5-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844856
N-(2-methoxyethyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54838931
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide (CID 54831751) is N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(C)=O)c2)ccc1C.
What is the InChIKey of N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide?
The InChIKey is KYTQLPSFSQFWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-19(26)24-18-11-17(9-8-13(18)2)23-20(27)12-21-15-6-5-7-16(10-15)22-14(3)25/h5-11,21H,4,12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54831751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).