N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 109131864

IUPACN-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C19H26N2O2/c1-14(2)21(13-15-8-4-3-5-9-15)19(23)17-12-16(17)18(22)20-10-6-7-11-20/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyLNMZKIQKYKNWPX-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.68
Rot. Bonds5

About N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide

N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109131864) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109131864
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1
InChIInChI=1S/C19H26N2O2/c1-14(2)21(13-15-8-4-3-5-9-15)19(23)17-12-16(17)18(22)20-10-6-7-11-20/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyLNMZKIQKYKNWPX-UHFFFAOYSA-N
XLogP2.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-3-pyrrolidone
CID 79176
5-Acetyl-1-benzylpyrrolidin-2-one
CID 19834189
Smac peptido-mimetic 1
CID 11200722
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 23646337
L-valyl-L-proline benzylamide
CID 11645153
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
(2S)-1-[(3aS,4R,7aR)-2-benzyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isoindole-4-carbonyl]pyrrolidine-2-carbonitrile
CID 127050022
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 3663590
Me-Ala-Val-Pro-NHBn
CID 25199558
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109131864) is N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1CC1C(=O)N1CCCC1.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is LNMZKIQKYKNWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)21(13-15-8-4-3-5-9-15)19(23)17-12-16(17)18(22)20-10-6-7-11-20/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide?
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109131864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).