N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide

C15H27N3O2 — CID 11934942

IUPACN-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
SMILESC[C@H]1[C@@H](NC(=O)NC(=O)CN2CCCC2)CCC[C@@H]1C
InChIInChI=1S/C15H27N3O2/c1-11-6-5-7-13(12(11)2)16-15(20)17-14(19)10-18-8-3-4-9-18/h11-13H,3-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+,13-/m0/s1
InChIKeyPGPHIJIVTGBTSX-XQQFMLRXSA-N
MW281.40 g/mol
LogP1.73
Rot. Bonds3

About N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide

N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 11934942) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
PubChem CID11934942
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
SMILESC[C@H]1[C@@H](NC(=O)NC(=O)CN2CCCC2)CCC[C@@H]1C
InChIInChI=1S/C15H27N3O2/c1-11-6-5-7-13(12(11)2)16-15(20)17-14(19)10-18-8-3-4-9-18/h11-13H,3-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+,13-/m0/s1
InChIKeyPGPHIJIVTGBTSX-XQQFMLRXSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 27155073
N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
CID 17416415
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(2,3-dimethylcyclohexyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119927916
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119926459
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide (CID 11934942) is N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide is C[C@H]1[C@@H](NC(=O)NC(=O)CN2CCCC2)CCC[C@@H]1C.
What is the InChIKey of N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is PGPHIJIVTGBTSX-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-6-5-7-13(12(11)2)16-15(20)17-14(19)10-18-8-3-4-9-18/h11-13H,3-10H2,1-2H3,(H2,16,17,19,20)/t11-,12+,13-/m0/s1.
What are the key properties of N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide?
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 11934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).