(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide

C18H22N2O2 — CID 167944713

IUPAC(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C18H22N2O2/c1-13(14-4-5-14)12-17(21)19-16-8-6-15(7-9-16)18(22)20-10-2-3-11-20/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,21)/b13-12+
InChIKeyKLLGPCYWBCQWRM-OUKQBFOZSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds4

About (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide

(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide (PubChem CID 167944713) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
PubChem CID167944713
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
SMILESC/C(=C\C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C18H22N2O2/c1-13(14-4-5-14)12-17(21)19-16-8-6-15(7-9-16)18(22)20-10-2-3-11-20/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,21)/b13-12+
InChIKeyKLLGPCYWBCQWRM-OUKQBFOZSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
CID 134556324
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide?
The IUPAC name of (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide (CID 167944713) is (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide?
The canonical SMILES for (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide is C/C(=C\C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)C1CC1.
What is the InChIKey of (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide?
The InChIKey is KLLGPCYWBCQWRM-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(14-4-5-14)12-17(21)19-16-8-6-15(7-9-16)18(22)20-10-2-3-11-20/h6-9,12,14H,2-5,10-11H2,1H3,(H,19,21)/b13-12+.
What are the key properties of (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide?
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide has a molecular weight of 298.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide is sourced from PubChem (CID 167944713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).