N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide

C20H32N2O — CID 6591224

IUPACN-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C20H32N2O/c1-15(2)22(14-18-10-6-5-7-11-18)20(23)13-21-19-12-8-9-16(3)17(19)4/h5-7,10-11,15-17,19,21H,8-9,12-14H2,1-4H3/t16-,17+,19-/m0/s1
InChIKeyQLYHNZAWWXYRRP-SCTDSRPQSA-N
MW316.49 g/mol
LogP3.84
Rot. Bonds6

About N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide

N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide (PubChem CID 6591224) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide
PubChem CID6591224
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@H](C)[C@H]1C
InChIInChI=1S/C20H32N2O/c1-15(2)22(14-18-10-6-5-7-11-18)20(23)13-21-19-12-8-9-16(3)17(19)4/h5-7,10-11,15-17,19,21H,8-9,12-14H2,1-4H3/t16-,17+,19-/m0/s1
InChIKeyQLYHNZAWWXYRRP-SCTDSRPQSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

(Z)-N-benzyl-2-cyano-3-[(2-methylcyclohexyl)amino]-N-propan-2-ylprop-2-enamide
CID 108830019
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
2-[[2-[benzyl(propan-2-yl)amino]cyclohexyl]amino]acetic acid
CID 66567293
2-[(2,3-dimethylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 43309660
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-[(2S,3R)-4-[(2,3-dimethylcyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-phenylbutanamide
CID 68662730
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methylbutyl)acetamide
CID 60672363
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 112995074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide (CID 6591224) is N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CN[C@H]1CCC[C@H](C)[C@H]1C.
What is the InChIKey of N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
The InChIKey is QLYHNZAWWXYRRP-SCTDSRPQSA-N. The full InChI is InChI=1S/C20H32N2O/c1-15(2)22(14-18-10-6-5-7-11-18)20(23)13-21-19-12-8-9-16(3)17(19)4/h5-7,10-11,15-17,19,21H,8-9,12-14H2,1-4H3/t16-,17+,19-/m0/s1.
What are the key properties of N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide?
N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide has a molecular weight of 316.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 6591224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).