1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C17H32N2O2 — CID 17082660

IUPAC1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)N(CC(C)C)CC(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-6-7-8-18-12-15(9-16(18)20)17(21)19(10-13(2)3)11-14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyQKJBVFVJBBJZGD-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.78
Rot. Bonds8

About 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082660) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082660
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)N(CC(C)C)CC(C)C)CC1=O
InChIInChI=1S/C17H32N2O2/c1-6-7-8-18-12-15(9-16(18)20)17(21)19(10-13(2)3)11-14(4)5/h13-15H,6-12H2,1-5H3
InChIKeyQKJBVFVJBBJZGD-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
CID 9399767
(3S)-1-butyl-N-[(2R)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399278
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
N,N-diethyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51077779
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 17082660) is 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)N(CC(C)C)CC(C)C)CC1=O.
What is the InChIKey of 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QKJBVFVJBBJZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-7-8-18-12-15(9-16(18)20)17(21)19(10-13(2)3)11-14(4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).