3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide

C15H24N2O2 — CID 115154337

IUPAC3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
SMILESCCOc1ccc(CCNC(=O)CC(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-11(14)2)7-8-17-15(18)10-12(3)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyGYAWUVUJAPNHEJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds7

About 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide

3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide (PubChem CID 115154337) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
PubChem CID115154337
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
SMILESCCOc1ccc(CCNC(=O)CC(C)N)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-11(14)2)7-8-17-15(18)10-12(3)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyGYAWUVUJAPNHEJ-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3,4-dimethylphenyl)ethyl]butanamide
CID 115154307
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 115152025
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
4-amino-N-[(4-ethoxy-3-methylphenyl)methyl]pentanamide
CID 115156704
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
3-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948782
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
2-amino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 112518237
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide (CID 115154337) is 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide is CCOc1ccc(CCNC(=O)CC(C)N)cc1C.
What is the InChIKey of 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide?
The InChIKey is GYAWUVUJAPNHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-6-5-13(9-11(14)2)7-8-17-15(18)10-12(3)16/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide?
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 115154337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).