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

C20H28N2O2 — CID 108972413

IUPACN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-4-16-7-5-6-15(3)17(16)21-18(23)20(10-11-20)19(24)22-12-8-14(2)9-13-22/h5-7,14H,4,8-13H2,1-3H3,(H,21,23)
InChIKeyNOMXAFOBUZEOGK-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.53
Rot. Bonds4

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

N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972413) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972413
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-4-16-7-5-6-15(3)17(16)21-18(23)20(10-11-20)19(24)22-12-8-14(2)9-13-22/h5-7,14H,4,8-13H2,1-3H3,(H,21,23)
InChIKeyNOMXAFOBUZEOGK-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973987
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
N-(2-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972398
N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014562
N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980753
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
N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980140
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972413) is N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CCc1cccc(C)c1NC(=O)C1(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is NOMXAFOBUZEOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-16-7-5-6-15(3)17(16)21-18(23)20(10-11-20)19(24)22-12-8-14(2)9-13-22/h5-7,14H,4,8-13H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).