4-amino-3-methoxy-N-(4-propylphenyl)butanamide

C14H22N2O2 — CID 103154337

IUPAC4-amino-3-methoxy-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-11-5-7-12(8-6-11)16-14(17)9-13(10-15)18-2/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyCJJHWZNSRREHAY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds7

About 4-amino-3-methoxy-N-(4-propylphenyl)butanamide

4-amino-3-methoxy-N-(4-propylphenyl)butanamide (PubChem CID 103154337) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-propylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-propylphenyl)butanamide
PubChem CID103154337
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-3-methoxy-N-(4-propylphenyl)butanamide
SMILESCCCc1ccc(NC(=O)CC(CN)OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-11-5-7-12(8-6-11)16-14(17)9-13(10-15)18-2/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyCJJHWZNSRREHAY-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate
CID 103154656
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 120587425
4-amino-3-methoxy-N-(4-methylsulfonylphenyl)butanamide
CID 103154230
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-propylphenyl)butanamide?
The IUPAC name of 4-amino-3-methoxy-N-(4-propylphenyl)butanamide (CID 103154337) is 4-amino-3-methoxy-N-(4-propylphenyl)butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-propylphenyl)butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4-propylphenyl)butanamide is CCCc1ccc(NC(=O)CC(CN)OC)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-(4-propylphenyl)butanamide?
The InChIKey is CJJHWZNSRREHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-11-5-7-12(8-6-11)16-14(17)9-13(10-15)18-2/h5-8,13H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-3-methoxy-N-(4-propylphenyl)butanamide?
4-amino-3-methoxy-N-(4-propylphenyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-propylphenyl)butanamide is sourced from PubChem (CID 103154337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).