N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

C21H25N3O2 — CID 55896924

IUPACN-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCCc1cccc(NC(=O)CNc2cc(NC(=O)C3CC3)ccc2C)c1
InChIInChI=1S/C21H25N3O2/c1-3-15-5-4-6-17(11-15)23-20(25)13-22-19-12-18(10-7-14(19)2)24-21(26)16-8-9-16/h4-7,10-12,16,22H,3,8-9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHURDNRVONZZCW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.96
Rot. Bonds7

About N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (PubChem CID 55896924) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
PubChem CID55896924
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
SMILESCCc1cccc(NC(=O)CNc2cc(NC(=O)C3CC3)ccc2C)c1
InChIInChI=1S/C21H25N3O2/c1-3-15-5-4-6-17(11-15)23-20(25)13-22-19-12-18(10-7-14(19)2)24-21(26)16-8-9-16/h4-7,10-12,16,22H,3,8-9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNHURDNRVONZZCW-UHFFFAOYSA-N
XLogP3.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55897431
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
4-tert-butyl-N-[2-methyl-5-(propanoylamino)phenyl]cyclohexane-1-carboxamide
CID 46467347
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
methyl 4-[[2-(3-ethylanilino)-2-oxoethyl]amino]-3-methylbenzoate
CID 24662266
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide (CID 55896924) is N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is CCc1cccc(NC(=O)CNc2cc(NC(=O)C3CC3)ccc2C)c1.
What is the InChIKey of N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
The InChIKey is NHURDNRVONZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-15-5-4-6-17(11-15)23-20(25)13-22-19-12-18(10-7-14(19)2)24-21(26)16-8-9-16/h4-7,10-12,16,22H,3,8-9,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55896924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).