N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide

C20H32N2O — CID 11939615

IUPACN-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C20H32N2O/c1-5-16-10-8-11-17(6-2)20(16)22-19(23)13-21-18-12-7-9-14(3)15(18)4/h8,10-11,14-15,18,21H,5-7,9,12-13H2,1-4H3,(H,22,23)/t14-,15-,18-/m0/s1
InChIKeyNUKWZSFAJGFKQD-MPGHIAIKSA-N
MW316.49 g/mol
LogP4.16
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide

N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide (PubChem CID 11939615) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
PubChem CID11939615
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN[C@H]1CCC[C@H](C)[C@@H]1C
InChIInChI=1S/C20H32N2O/c1-5-16-10-8-11-17(6-2)20(16)22-19(23)13-21-18-12-7-9-14(3)15(18)4/h8,10-11,14-15,18,21H,5-7,9,12-13H2,1-4H3,(H,22,23)/t14-,15-,18-/m0/s1
InChIKeyNUKWZSFAJGFKQD-MPGHIAIKSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
methyl 3-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzoate
CID 112770322
N-(2,6-diethylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]acetamide
CID 164663281
2-[(2,3-dimethylcyclohexyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 112770347
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-(3-bromophenyl)-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64909334
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 45281379
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 30724296
2-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide (CID 11939615) is N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide is CCc1cccc(CC)c1NC(=O)CN[C@H]1CCC[C@H](C)[C@@H]1C.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide?
The InChIKey is NUKWZSFAJGFKQD-MPGHIAIKSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-16-10-8-11-17(6-2)20(16)22-19(23)13-21-18-12-7-9-14(3)15(18)4/h8,10-11,14-15,18,21H,5-7,9,12-13H2,1-4H3,(H,22,23)/t14-,15-,18-/m0/s1.
What are the key properties of N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide?
N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide has a molecular weight of 316.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]acetamide is sourced from PubChem (CID 11939615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).