N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide

C24H24N2O — CID 4024183

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C24H24N2O/c27-24(16-13-20-8-3-1-4-9-20)26(22-14-15-22)19-23-12-7-17-25(23)18-21-10-5-2-6-11-21/h1-13,16-17,22H,14-15,18-19H2
InChIKeyGDNVANRYVBWJOD-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.74
Rot. Bonds7

About N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide (PubChem CID 4024183) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
PubChem CID4024183
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(Cc1cccn1Cc1ccccc1)C1CC1
InChIInChI=1S/C24H24N2O/c27-24(16-13-20-8-3-1-4-9-20)26(22-14-15-22)19-23-12-7-17-25(23)18-21-10-5-2-6-11-21/h1-13,16-17,22H,14-15,18-19H2
InChIKeyGDNVANRYVBWJOD-UHFFFAOYSA-N
XLogP4.74
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
CID 6077373
(E)-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-ethyl-3-phenylprop-2-enamide
CID 6310722
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-cyclopropylpropanamide
CID 810234
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide
CID 5141750
(E)-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-3-(4-nitrophenyl)prop-2-enamide
CID 6106682
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
(E)-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylprop-2-enamide
CID 6272789
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 3891754
(E)-N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylprop-2-enamide
CID 42777082
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-2-phenylbutanamide
CID 3534668
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclopropylamino]-2-oxoethyl]-N-cyclohexyl-3,3-dimethylbutanamide
CID 3993753
(E)-N-[2-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 6115342

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide (CID 4024183) is N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)N(Cc1cccn1Cc1ccccc1)C1CC1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide?
The InChIKey is GDNVANRYVBWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(16-13-20-8-3-1-4-9-20)26(22-14-15-22)19-23-12-7-17-25(23)18-21-10-5-2-6-11-21/h1-13,16-17,22H,14-15,18-19H2.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide has a molecular weight of 356.47 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4024183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).