3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

C14H26N2O2 — CID 64913056

IUPAC3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2CCCCC2O)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-14(7-8-15-10-14)13(18)16-9-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18)
InChIKeyLXKGLLZJYVUXGB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.04
Rot. Bonds4

About 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 64913056) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
PubChem CID64913056
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2CCCCC2O)CCNC1
InChIInChI=1S/C14H26N2O2/c1-2-14(7-8-15-10-14)13(18)16-9-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18)
InChIKeyLXKGLLZJYVUXGB-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63142330
3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 80584709
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119795410
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
(2-ethylcyclohexyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570195
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide (CID 64913056) is 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCC2CCCCC2O)CCNC1.
What is the InChIKey of 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LXKGLLZJYVUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-14(7-8-15-10-14)13(18)16-9-11-5-3-4-6-12(11)17/h11-12,15,17H,2-10H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 64913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).