4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide

C14H21N3O3 — CID 103155505

IUPAC4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C14H21N3O3/c1-3-13(18)16-10-5-4-6-11(7-10)17-14(19)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUDNRIWKLJVSIQF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds7

About 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide

4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide (PubChem CID 103155505) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
PubChem CID103155505
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CC(CN)OC)c1
InChIInChI=1S/C14H21N3O3/c1-3-13(18)16-10-5-4-6-11(7-10)17-14(19)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyUDNRIWKLJVSIQF-UHFFFAOYSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
4-amino-3-methoxy-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 103154603
4-amino-N-[3-(dimethylsulfamoyl)phenyl]-3-methoxybutanamide
CID 103154687
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
CID 103155311
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide (CID 103155505) is 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)CC(CN)OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide?
The InChIKey is UDNRIWKLJVSIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-13(18)16-10-5-4-6-11(7-10)17-14(19)8-12(9-15)20-2/h4-7,12H,3,8-9,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide?
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 103155505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).