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

C14H22N2O — CID 79805432

IUPAC2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)C(C)(N)CC)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16(6-2)12-9-7-8-11(3)10-12/h7-10H,5-6,15H2,1-4H3
InChIKeyKMAPLRDQHKMWKG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds4

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

2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide (PubChem CID 79805432) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
PubChem CID79805432
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)C(C)(N)CC)c1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16(6-2)12-9-7-8-11(3)10-12/h7-10H,5-6,15H2,1-4H3
InChIKeyKMAPLRDQHKMWKG-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)propanamide
CID 28766915
N-(3-aminopropyl)-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 62677230
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide (CID 79805432) is 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide is CCN(C(=O)C(C)(N)CC)c1cccc(C)c1.
What is the InChIKey of 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide?
The InChIKey is KMAPLRDQHKMWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-14(4,15)13(17)16(6-2)12-9-7-8-11(3)10-12/h7-10H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide?
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 79805432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).