N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C19H27N3O2 — CID 109131939

IUPACN-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-3-21(4-2)15-9-7-14(8-10-15)20-18(23)16-13-17(16)19(24)22-11-5-6-12-22/h7-10,16-17H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyKTRHIBZCZMGCSV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131939) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131939
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-3-21(4-2)15-9-7-14(8-10-15)20-18(23)16-13-17(16)19(24)22-11-5-6-12-22/h7-10,16-17H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyKTRHIBZCZMGCSV-UHFFFAOYSA-N
XLogP2.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133406
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
2-(piperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 109132303
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 109134381
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
N-(4-ethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140401

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131939) is N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is KTRHIBZCZMGCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-21(4-2)15-9-7-14(8-10-15)20-18(23)16-13-17(16)19(24)22-11-5-6-12-22/h7-10,16-17H,3-6,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).