4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide

C13H20N2O2 — CID 98784022

IUPAC4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
SMILESCCc1cc(NC(=O)CCCN)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-3-10-9-11(6-7-12(10)17-2)15-13(16)5-4-8-14/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyRIZHFSSTDWRORP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds6

About 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide

4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide (PubChem CID 98784022) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
PubChem CID98784022
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
SMILESCCc1cc(NC(=O)CCCN)ccc1OC
InChIInChI=1S/C13H20N2O2/c1-3-10-9-11(6-7-12(10)17-2)15-13(16)5-4-8-14/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyRIZHFSSTDWRORP-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-benzyl-4-methoxyphenyl)butanamide
CID 119274895
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833
4-amino-N-[3-(3-aminoprop-1-ynyl)-4-methoxyphenyl]butanamide
CID 172549087
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
2-cyano-N-(3-ethyl-4-methoxyphenyl)acetamide
CID 115172874
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide (CID 98784022) is 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide is CCc1cc(NC(=O)CCCN)ccc1OC.
What is the InChIKey of 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide?
The InChIKey is RIZHFSSTDWRORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-9-11(6-7-12(10)17-2)15-13(16)5-4-8-14/h6-7,9H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide?
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide is sourced from PubChem (CID 98784022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).