N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H27N3O2 — CID 108973987

IUPACN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)16(15)20-17(23)19(8-9-19)18(24)22-12-10-21(3)11-13-22/h5-7H,4,8-13H2,1-3H3,(H,20,23)
InChIKeyJHDXPJSJRDACDO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.05
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108973987) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108973987
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)16(15)20-17(23)19(8-9-19)18(24)22-12-10-21(3)11-13-22/h5-7H,4,8-13H2,1-3H3,(H,20,23)
InChIKeyJHDXPJSJRDACDO-UHFFFAOYSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980753
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
1-N-(2,5-dimethylphenyl)-1-N'-(2-ethyl-6-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981307
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 108977267
ethyl 4-[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978708
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
4-acetyl-N-(2-ethyl-6-methylphenyl)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919129

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108973987) is N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CCc1cccc(C)c1NC(=O)C1(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JHDXPJSJRDACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-15-7-5-6-14(2)16(15)20-17(23)19(8-9-19)18(24)22-12-10-21(3)11-13-22/h5-7H,4,8-13H2,1-3H3,(H,20,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108973987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).