N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide

C11H22N2O2 — CID 64605467

IUPACN-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
SMILESCOCCC(C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C11H22N2O2/c1-9(5-8-15-3)13-10(14)11(2)6-4-7-12-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyHEPUDIVQWYLOLC-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide

N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 64605467) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
PubChem CID64605467
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide
SMILESCOCCC(C)NC(=O)C1(C)CCCN1
InChIInChI=1S/C11H22N2O2/c1-9(5-8-15-3)13-10(14)11(2)6-4-7-12-11/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyHEPUDIVQWYLOLC-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
N-[(2S)-1-hydroxypropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107218975
methyl (2S,3R)-3-hydroxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]butanoate
CID 90329982
5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 104597036
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
(2R)-2-methyl-N-[(2R)-1-(2-methylpropoxy)propan-2-yl]piperidine-2-carboxamide
CID 99853203
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614
1-amino-N-(4-methoxybutan-2-yl)cyclopentane-1-carboxamide
CID 64606072
N-but-3-en-2-yl-2-methylpyrrolidine-2-carboxamide
CID 115747650
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 81364307

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide (CID 64605467) is N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide is COCCC(C)NC(=O)C1(C)CCCN1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is HEPUDIVQWYLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(5-8-15-3)13-10(14)11(2)6-4-7-12-11/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide?
N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64605467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).