4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide

C14H22N2O — CID 81087355

IUPAC4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
SMILESCC(CN)CC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(10-15)9-14(17)16(3)12(2)13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3
InChIKeyLJJXHNHGCSBRBW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds5

About 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide

4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide (PubChem CID 81087355) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
PubChem CID81087355
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
SMILESCC(CN)CC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(10-15)9-14(17)16(3)12(2)13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3
InChIKeyLJJXHNHGCSBRBW-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134
methyl(1-phenylethyl)carbamic acid
CID 67062794
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
6-amino-N,4,4-trimethyl-N-(1-phenylethyl)hexanamide
CID 65290678
N-[1-(4-hydroxyphenyl)ethyl]-N,3-dimethylpentanamide
CID 114875153
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238276
4-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-methylbutanamide
CID 81087504

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide (CID 81087355) is 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide is CC(CN)CC(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide?
The InChIKey is LJJXHNHGCSBRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(10-15)9-14(17)16(3)12(2)13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide?
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 81087355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).