1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C17H31N3O2 — CID 18271170

IUPAC1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCCC(NC(=O)CN2CCCC2C(=O)N(C)C)C1C
InChIInChI=1S/C17H31N3O2/c1-12-7-5-8-14(13(12)2)18-16(21)11-20-10-6-9-15(20)17(22)19(3)4/h12-15H,5-11H2,1-4H3,(H,18,21)
InChIKeyVVAZGFGYVQDFLW-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.48
Rot. Bonds4

About 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 18271170) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID18271170
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCCC(NC(=O)CN2CCCC2C(=O)N(C)C)C1C
InChIInChI=1S/C17H31N3O2/c1-12-7-5-8-14(13(12)2)18-16(21)11-20-10-6-9-15(20)17(22)19(3)4/h12-15H,5-11H2,1-4H3,(H,18,21)
InChIKeyVVAZGFGYVQDFLW-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441762
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65462596
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-(2,3-dimethylcyclohexyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768358
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 62063944
(3R)-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 98752081

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 18271170) is 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CC1CCCC(NC(=O)CN2CCCC2C(=O)N(C)C)C1C.
What is the InChIKey of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is VVAZGFGYVQDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-7-5-8-14(13(12)2)18-16(21)11-20-10-6-9-15(20)17(22)19(3)4/h12-15H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18271170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).