(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide

C14H26N2O3 — CID 9399516

IUPAC(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)NCCCOCC)CC1=O
InChIInChI=1S/C14H26N2O3/c1-3-5-8-16-11-12(10-13(16)17)14(18)15-7-6-9-19-4-2/h12H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyPTKDDHMXZFTETP-LBPRGKRZSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds9

About (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9399516) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9399516
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1C[C@@H](C(=O)NCCCOCC)CC1=O
InChIInChI=1S/C14H26N2O3/c1-3-5-8-16-11-12(10-13(16)17)14(18)15-7-6-9-19-4-2/h12H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyPTKDDHMXZFTETP-LBPRGKRZSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
1-butyl-N-[4-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153630
2-[[1-(3-ethoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043107
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
1-butyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4277124
(3S)-N-(3-ethoxypropyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297128
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422

Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 9399516) is (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide is CCCCN1C[C@@H](C(=O)NCCCOCC)CC1=O.
What is the InChIKey of (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PTKDDHMXZFTETP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-8-16-11-12(10-13(16)17)14(18)15-7-6-9-19-4-2/h12H,3-11H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9399516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).