2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide

C18H30N2O — CID 100703004

IUPAC2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C[C@@H](C)CC(C)C
InChIInChI=1S/C18H30N2O/c1-6-16-9-7-8-10-17(16)19-18(21)13-20(5)12-15(4)11-14(2)3/h7-10,14-15H,6,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyDHUUFUYVSXATHV-HNNXBMFYSA-N
MW290.45 g/mol
LogP3.80
Rot. Bonds8

About 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 100703004) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID100703004
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)C[C@@H](C)CC(C)C
InChIInChI=1S/C18H30N2O/c1-6-16-9-7-8-10-17(16)19-18(21)13-20(5)12-15(4)11-14(2)3/h7-10,14-15H,6,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1
InChIKeyDHUUFUYVSXATHV-HNNXBMFYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 110898303
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-(2-aminophenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 43271763
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 100703004) is 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)C[C@@H](C)CC(C)C.
What is the InChIKey of 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is DHUUFUYVSXATHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-16-9-7-8-10-17(16)19-18(21)13-20(5)12-15(4)11-14(2)3/h7-10,14-15H,6,11-13H2,1-5H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 290.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2,4-dimethylpentyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 100703004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).