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

C20H24N4O3 — CID 54844990

IUPACN-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1C
InChIInChI=1S/C20H24N4O3/c1-4-19(26)24-18-10-6-9-17(13(18)2)21-12-20(27)23-16-8-5-7-15(11-16)22-14(3)25/h5-11,21H,4,12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyVOVKNCNHHMSQSX-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.35
Rot. Bonds7

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

N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (PubChem CID 54844990) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
PubChem CID54844990
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1C
InChIInChI=1S/C20H24N4O3/c1-4-19(26)24-18-10-6-9-17(13(18)2)21-12-20(27)23-16-8-5-7-15(11-16)22-14(3)25/h5-11,21H,4,12H2,1-3H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyVOVKNCNHHMSQSX-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

N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[2-methyl-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54844668
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (CID 54844990) is N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cccc(NCC(=O)Nc2cccc(NC(C)=O)c2)c1C.
What is the InChIKey of N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The InChIKey is VOVKNCNHHMSQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-19(26)24-18-10-6-9-17(13(18)2)21-12-20(27)23-16-8-5-7-15(11-16)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-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]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-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54844990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).