N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide

C17H26N2O — CID 79389006

IUPACN-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CCNC1C
InChIInChI=1S/C17H26N2O/c1-4-13(2)19(12-15-8-6-5-7-9-15)17(20)16-10-11-18-14(16)3/h5-9,13-14,16,18H,4,10-12H2,1-3H3
InChIKeyWUSSGFIBMKCQPZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide

N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide (PubChem CID 79389006) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
PubChem CID79389006
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C1CCNC1C
InChIInChI=1S/C17H26N2O/c1-4-13(2)19(12-15-8-6-5-7-9-15)17(20)16-10-11-18-14(16)3/h5-9,13-14,16,18H,4,10-12H2,1-3H3
InChIKeyWUSSGFIBMKCQPZ-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-butan-2-yl-4-methylpyrrolidine-3-carboxamide
CID 63714137
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-ethyl-N-(2-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388805
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
N-benzyl-N-butan-2-ylpentanamide
CID 78842113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide (CID 79389006) is N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)C1CCNC1C.
What is the InChIKey of N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide?
The InChIKey is WUSSGFIBMKCQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-13(2)19(12-15-8-6-5-7-9-15)17(20)16-10-11-18-14(16)3/h5-9,13-14,16,18H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide?
N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).