(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide

C14H22N2O — CID 22690792

IUPAC(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)[C@@H](N)C(C)C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-16(14(17)13(15)10(2)3)12-8-6-7-11(4)9-12/h6-10,13H,5,15H2,1-4H3/t13-/m0/s1
InChIKeyRNLJRKUFFMPDKZ-ZDUSSCGKSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds4

About (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide

(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide (PubChem CID 22690792) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
PubChem CID22690792
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)[C@@H](N)C(C)C)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-16(14(17)13(15)10(2)3)12-8-6-7-11(4)9-12/h6-10,13H,5,15H2,1-4H3/t13-/m0/s1
InChIKeyRNLJRKUFFMPDKZ-ZDUSSCGKSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-N-(3-methylphenyl)-2-sulfanylbutanamide
CID 107023755
4-(N-ethyl-3-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497969
2-bromo-N-ethyl-N-(3-methylphenyl)butanamide
CID 25219729
2-amino-N-ethyl-5-methoxy-N-(3-methylphenyl)pentanamide
CID 81088935
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide (CID 22690792) is (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide is CCN(C(=O)[C@@H](N)C(C)C)c1cccc(C)c1.
What is the InChIKey of (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide?
The InChIKey is RNLJRKUFFMPDKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(14(17)13(15)10(2)3)12-8-6-7-11(4)9-12/h6-10,13H,5,15H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide?
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 22690792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).