N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide

C16H29N3O2 — CID 106318285

IUPACN,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CC2(NC)CCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-15(14(21)17-2)9-10-19(12-15)13(20)11-16(18-3)7-5-4-6-8-16/h18H,4-12H2,1-3H3,(H,17,21)
InChIKeyYRUBEVUSYACCHB-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds4

About N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide (PubChem CID 106318285) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
PubChem CID106318285
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)CC2(NC)CCCCC2)C1
InChIInChI=1S/C16H29N3O2/c1-15(14(21)17-2)9-10-19(12-15)13(20)11-16(18-3)7-5-4-6-8-16/h18H,4-12H2,1-3H3,(H,17,21)
InChIKeyYRUBEVUSYACCHB-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-[1-(aminomethyl)cyclohexanecarbonyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318011
2,2-dimethyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 106317949
1-[2-(cyclopropylamino)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172830
N,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxamide
CID 106151836
3,3-dimethyl-5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 106317948
N,3-dimethyl-1-(2-piperazin-1-ylacetyl)pyrrolidine-3-carboxamide
CID 106318287
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
1-N,1-N,3-N,3-tetramethylpyrrolidine-1,3-dicarboxamide
CID 106132532
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
N,3-dimethyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 106322158
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide (CID 106318285) is N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)CC2(NC)CCCCC2)C1.
What is the InChIKey of N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide?
The InChIKey is YRUBEVUSYACCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(14(21)17-2)9-10-19(12-15)13(20)11-16(18-3)7-5-4-6-8-16/h18H,4-12H2,1-3H3,(H,17,21).
What are the key properties of N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106318285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).