4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide

C14H28N2O2 — CID 61254446

IUPAC4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CCCC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)6-5-7-11(3)16-14(17)13-8-12(18-4)9-15-13/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyDRXZKWCAEYMIAM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.69
Rot. Bonds7

About 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide

4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 61254446) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
PubChem CID61254446
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NC(C)CCCC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-10(2)6-5-7-11(3)16-14(17)13-8-12(18-4)9-15-13/h10-13,15H,5-9H2,1-4H3,(H,16,17)
InChIKeyDRXZKWCAEYMIAM-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-[4-(dimethylamino)butan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 54968386
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 61215342
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
4-methoxy-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61215056
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide (CID 61254446) is 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)NC(C)CCCC(C)C)C1.
What is the InChIKey of 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is DRXZKWCAEYMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)6-5-7-11(3)16-14(17)13-8-12(18-4)9-15-13/h10-13,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide?
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61254446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).