N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide

C24H28N4O3 — CID 54841043

IUPACN-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C24H28N4O3/c1-16-20(8-5-9-21(16)27-23(30)17-10-11-17)26-22(29)15-25-19-7-4-6-18(14-19)24(31)28-12-2-3-13-28/h4-9,14,17,25H,2-3,10-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyZWVDYCFBRFLYDU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.63
Rot. Bonds7

About N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 54841043) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID54841043
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C24H28N4O3/c1-16-20(8-5-9-21(16)27-23(30)17-10-11-17)26-22(29)15-25-19-7-4-6-18(14-19)24(31)28-12-2-3-13-28/h4-9,14,17,25H,2-3,10-13,15H2,1H3,(H,26,29)(H,27,30)
InChIKeyZWVDYCFBRFLYDU-UHFFFAOYSA-N
XLogP3.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-[2-methyl-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54833905
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]acetyl]amino]-2-methylphenyl]propanamide
CID 54834973
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide (CID 54841043) is N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide is Cc1c(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is ZWVDYCFBRFLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-20(8-5-9-21(16)27-23(30)17-10-11-17)26-22(29)15-25-19-7-4-6-18(14-19)24(31)28-12-2-3-13-28/h4-9,14,17,25H,2-3,10-13,15H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54841043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).