N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 108971661

IUPACN-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-3-14-8-7-9-15(4-2)16(14)20-17(22)19(10-11-19)18(23)21-12-5-6-13-21/h7-9H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyMFBXSOFXWRESJB-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.15
Rot. Bonds5

About N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108971661) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108971661
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-3-14-8-7-9-15(4-2)16(14)20-17(22)19(10-11-19)18(23)21-12-5-6-13-21/h7-9H,3-6,10-13H2,1-2H3,(H,20,22)
InChIKeyMFBXSOFXWRESJB-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.15
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-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
1-N-(2,6-diethylphenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970496
N-(2,6-diethylphenyl)azetidine-1-carbothioamide
CID 97184843
N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980140
1-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]cyclopropane-1-carboxamide
CID 108980477
1-amino-N-(2,6-diethylphenyl)cyclopropane-1-carboxamide
CID 65463970
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
N-(3-chlorophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972050
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972096
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108971661) is N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is CCc1cccc(CC)c1NC(=O)C1(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is MFBXSOFXWRESJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-14-8-7-9-15(4-2)16(14)20-17(22)19(10-11-19)18(23)21-12-5-6-13-21/h7-9H,3-6,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108971661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).