4-amino-N-(4-ethylphenyl)-3-methylbutanamide

C13H20N2O — CID 81071859

IUPAC4-amino-N-(4-ethylphenyl)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)CC(C)CN)cc1
InChIInChI=1S/C13H20N2O/c1-3-11-4-6-12(7-5-11)15-13(16)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHSQIWAONBQRZOA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds5

About 4-amino-N-(4-ethylphenyl)-3-methylbutanamide

4-amino-N-(4-ethylphenyl)-3-methylbutanamide (PubChem CID 81071859) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-N-(4-ethylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethylphenyl)-3-methylbutanamide
PubChem CID81071859
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-N-(4-ethylphenyl)-3-methylbutanamide
SMILESCCc1ccc(NC(=O)CC(C)CN)cc1
InChIInChI=1S/C13H20N2O/c1-3-11-4-6-12(7-5-11)15-13(16)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHSQIWAONBQRZOA-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
N-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33025303
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
CID 106910059
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964654
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylphenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(4-ethylphenyl)-3-methylbutanamide (CID 81071859) is 4-amino-N-(4-ethylphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-ethylphenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-ethylphenyl)-3-methylbutanamide is CCc1ccc(NC(=O)CC(C)CN)cc1.
What is the InChIKey of 4-amino-N-(4-ethylphenyl)-3-methylbutanamide?
The InChIKey is HSQIWAONBQRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-11-4-6-12(7-5-11)15-13(16)8-10(2)9-14/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-ethylphenyl)-3-methylbutanamide?
4-amino-N-(4-ethylphenyl)-3-methylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethylphenyl)-3-methylbutanamide is sourced from PubChem (CID 81071859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).