N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide

C23H24N2O — CID 42759925

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide
SMILESC=CCN(Cc1cccn1C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O/c1-3-16-25(18-21-15-10-17-24(21)2)23(26)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-15,17,22H,1,16,18H2,2H3
InChIKeyRDFADPUALAFHHX-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.37
Rot. Bonds7

About N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide

N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide (PubChem CID 42759925) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide
PubChem CID42759925
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide
SMILESC=CCN(Cc1cccn1C)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O/c1-3-16-25(18-21-15-10-17-24(21)2)23(26)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-15,17,22H,1,16,18H2,2H3
InChIKeyRDFADPUALAFHHX-UHFFFAOYSA-N
XLogP4.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3359020
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3428555
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenylacetamide
CID 809989
3-chloro-N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enylbenzamide
CID 810067
N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42759947
N-[(1-methylpyrrol-2-yl)methyl]-4-nitro-N-prop-2-enylbenzamide
CID 42759910
ethyl 4-[(1-methylpyrrol-2-yl)methyl-prop-2-enylamino]-4-oxobutanoate
CID 42759938
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-prop-2-enylbenzamide
CID 42767385
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 4222095
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3-chloro-2,2-dimethyl-N-prop-2-enylpropanamide
CID 3582941
3-(2-methoxyphenyl)-1-[(1-methylpyrrol-2-yl)methyl]-1-prop-2-enylurea
CID 42760139
2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-prop-2-enylacetamide
CID 42763882

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide (CID 42759925) is N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide is C=CCN(Cc1cccn1C)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide?
The InChIKey is RDFADPUALAFHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-3-16-25(18-21-15-10-17-24(21)2)23(26)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h3-15,17,22H,1,16,18H2,2H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide?
N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 42759925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).