4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide

C14H22N2O2 — CID 115156220

IUPAC4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
SMILESCCc1ccc(OC)c(NC(=O)CC(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-5-6-13(18-3)12(8-11)16-14(17)7-10(2)9-15/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyOETUDKSFZLVADS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds6

About 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide

4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide (PubChem CID 115156220) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
PubChem CID115156220
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
SMILESCCc1ccc(OC)c(NC(=O)CC(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-5-6-13(18-3)12(8-11)16-14(17)7-10(2)9-15/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17)
InChIKeyOETUDKSFZLVADS-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
CID 115156209
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
CID 115198252
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
2-(diethylamino)-N-(5-ethyl-2-methoxyphenyl)acetamide
CID 18383
N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187160
N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
2-(3-amino-2-methylpropyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 66224988
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
3-amino-N-(2,5-diethylphenyl)butanamide
CID 119817500
2-[(5-ethyl-2-methoxyphenyl)carbamoylamino]acetic acid
CID 82499428

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide (CID 115156220) is 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide is CCc1ccc(OC)c(NC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is OETUDKSFZLVADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-5-6-13(18-3)12(8-11)16-14(17)7-10(2)9-15/h5-6,8,10H,4,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide?
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 115156220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).