2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide

C12H24N2O2 — CID 83071390

IUPAC2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)CCOC)CCCN1
InChIInChI=1S/C12H24N2O2/c1-4-12(7-5-8-13-12)11(15)14-10(2)6-9-16-3/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyLLIYEZHGLSRLKC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide

2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 83071390) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID83071390
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)CCOC)CCCN1
InChIInChI=1S/C12H24N2O2/c1-4-12(7-5-8-13-12)11(15)14-10(2)6-9-16-3/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyLLIYEZHGLSRLKC-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
CID 64605467
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975744
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
2-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 83072304
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975300
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
2-ethyl-N-ethylsulfonylpyrrolidine-2-carboxamide
CID 103307069
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide (CID 83071390) is 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide is CCC1(C(=O)NC(C)CCOC)CCCN1.
What is the InChIKey of 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is LLIYEZHGLSRLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(7-5-8-13-12)11(15)14-10(2)6-9-16-3/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide?
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).