N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

C18H24N2O — CID 106599276

IUPACN-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(N(CC1CCCN1)C1CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c21-17(18(10-11-18)14-5-2-1-3-6-14)20(16-8-9-16)13-15-7-4-12-19-15/h1-3,5-6,15-16,19H,4,7-13H2
InChIKeyVJIIOQDZJZMVSW-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.46
Rot. Bonds5

About N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide

N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 106599276) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID106599276
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(N(CC1CCCN1)C1CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O/c21-17(18(10-11-18)14-5-2-1-3-6-14)20(16-8-9-16)13-15-7-4-12-19-15/h1-3,5-6,15-16,19H,4,7-13H2
InChIKeyVJIIOQDZJZMVSW-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402
N-cyclopropyl-4-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 104974179
N-cyclobutyl-N-(2-hydroxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 102867305
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
CID 112812586
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 104974145
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
(E)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 104974146

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide (CID 106599276) is N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is O=C(N(CC1CCCN1)C1CC1)C1(c2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is VJIIOQDZJZMVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-17(18(10-11-18)14-5-2-1-3-6-14)20(16-8-9-16)13-15-7-4-12-19-15/h1-3,5-6,15-16,19H,4,7-13H2.
What are the key properties of N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide?
N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106599276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).