N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide

C24H26N2O2 — CID 34179282

IUPACN-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide
SMILESCc1cccc(/C=C/C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1
InChIInChI=1S/C24H26N2O2/c1-17-3-2-4-18(15-17)7-14-23(27)26(22-12-13-22)16-19-5-8-20(9-6-19)24(28)25-21-10-11-21/h2-9,14-15,21-22H,10-13,16H2,1H3,(H,25,28)/b14-7+
InChIKeySJPRSZBIZZZGSR-VGOFMYFVSA-N
MW374.48 g/mol
LogP4.09
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide (PubChem CID 34179282) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide
PubChem CID34179282
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide
SMILESCc1cccc(/C=C/C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1
InChIInChI=1S/C24H26N2O2/c1-17-3-2-4-18(15-17)7-14-23(27)26(22-12-13-22)16-19-5-8-20(9-6-19)24(28)25-21-10-11-21/h2-9,14-15,21-22H,10-13,16H2,1H3,(H,25,28)/b14-7+
InChIKeySJPRSZBIZZZGSR-VGOFMYFVSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.09
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-cyclopropyl-4-[[cyclopropyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]benzamide
CID 34179087
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34178930
4-[[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179073
4-[[[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179349
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[(E)-3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxoprop-1-enyl]benzamide
CID 35746002
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
CID 33344663
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
4-[[3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55558122
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883164
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide (CID 34179282) is N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide is Cc1cccc(/C=C/C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide?
The InChIKey is SJPRSZBIZZZGSR-VGOFMYFVSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-17-3-2-4-18(15-17)7-14-23(27)26(22-12-13-22)16-19-5-8-20(9-6-19)24(28)25-21-10-11-21/h2-9,14-15,21-22H,10-13,16H2,1H3,(H,25,28)/b14-7+.
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide is sourced from PubChem (CID 34179282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).