4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide

C19H24N4O2 — CID 167938507

IUPAC4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCCn2ccnc2C(C)C)cc1
InChIInChI=1S/C19H24N4O2/c1-5-17(24)22(4)16-8-6-15(7-9-16)19(25)21-11-13-23-12-10-20-18(23)14(2)3/h5-10,12,14H,1,11,13H2,2-4H3,(H,21,25)
InChIKeyMKFYGVCLELGEPG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.59
Rot. Bonds7

About 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide

4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 167938507) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide
PubChem CID167938507
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)NCCn2ccnc2C(C)C)cc1
InChIInChI=1S/C19H24N4O2/c1-5-17(24)22(4)16-8-6-15(7-9-16)19(25)21-11-13-23-12-10-20-18(23)14(2)3/h5-10,12,14H,1,11,13H2,2-4H3,(H,21,25)
InChIKeyMKFYGVCLELGEPG-UHFFFAOYSA-N
XLogP2.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
5-bromo-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pentanamide
CID 165459039
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414201
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413722
1-(difluoromethyl)-5-methyl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyrrole-2-carboxamide
CID 121494848
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414099

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide (CID 167938507) is 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide is C=CC(=O)N(C)c1ccc(C(=O)NCCn2ccnc2C(C)C)cc1.
What is the InChIKey of 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is MKFYGVCLELGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-5-17(24)22(4)16-8-6-15(7-9-16)19(25)21-11-13-23-12-10-20-18(23)14(2)3/h5-10,12,14H,1,11,13H2,2-4H3,(H,21,25).
What are the key properties of 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide?
4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enoyl)amino]-N-[2-(2-propan-2-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 167938507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).