N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide

C23H28N4O3 — CID 54845201

IUPACN-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)ccc1C
InChIInChI=1S/C23H28N4O3/c1-4-21(28)26-20-12-17(11-8-14(20)2)25-22(29)13-24-18-6-5-7-19(15(18)3)27-23(30)16-9-10-16/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFIVLPYWCQZGLDD-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.05
Rot. Bonds8

About N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 54845201) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID54845201
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)ccc1C
InChIInChI=1S/C23H28N4O3/c1-4-21(28)26-20-12-17(11-8-14(20)2)25-22(29)13-24-18-6-5-7-19(15(18)3)27-23(30)16-9-10-16/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFIVLPYWCQZGLDD-UHFFFAOYSA-N
XLogP4.05
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844990
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide (CID 54845201) is N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide is CCC(=O)Nc1cc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)ccc1C.
What is the InChIKey of N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is FIVLPYWCQZGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-21(28)26-20-12-17(11-8-14(20)2)25-22(29)13-24-18-6-5-7-19(15(18)3)27-23(30)16-9-10-16/h5-8,11-12,16,24H,4,9-10,13H2,1-3H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54845201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).