4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C14H26N2O2 — CID 103832995

IUPAC4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC2CCCC(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-5-11(6-10)8-16-14(17)13-7-12(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyBTEWYMLZPZYYPA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.31
Rot. Bonds4

About 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide

4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 103832995) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID103832995
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC2CCCC(C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-10-4-3-5-11(6-10)8-16-14(17)13-7-12(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyBTEWYMLZPZYYPA-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 106134352
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[(3-methylcyclohexyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119750252
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 107413534
cyclopropylmethyl 4-methoxypyrrolidine-2-carboxylate
CID 61151115
4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 103832995) is 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCC2CCCC(C)C2)C1.
What is the InChIKey of 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BTEWYMLZPZYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-4-3-5-11(6-10)8-16-14(17)13-7-12(18-2)9-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103832995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).