N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide

C13H26N2O — CID 60648714

IUPACN-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-8-13(16)15-12-7-5-6-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyPVCBADDLXWUQKO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide

N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide (PubChem CID 60648714) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
PubChem CID60648714
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-8-13(16)15-12-7-5-6-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyPVCBADDLXWUQKO-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 75501744
methyl N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]carbamate
CID 47303429
N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
CID 64907400
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-5-oxopentanoic acid
CID 7317755
3-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64916472
2-azido-N-(2,3-dimethylcyclohexyl)acetamide
CID 61374962
N-(2,3-dimethylcyclohexyl)tridecanamide
CID 57307251
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
methyl 2-[[4-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-4-oxobutanoyl]amino]acetate
CID 7299825
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide (CID 60648714) is N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is PVCBADDLXWUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)14-8-13(16)15-12-7-5-6-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60648714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).