4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide

C14H22N2O2 — CID 43708620

IUPAC4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-13(16-14(17)5-4-10-15)11-6-8-12(18-2)9-7-11/h6-9,13H,3-5,10,15H2,1-2H3,(H,16,17)
InChIKeyXHLASESVQYKRPJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.00
Rot. Bonds7

About 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide

4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide (PubChem CID 43708620) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
PubChem CID43708620
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
SMILESCCC(NC(=O)CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-13(16-14(17)5-4-10-15)11-6-8-12(18-2)9-7-11/h6-9,13H,3-5,10,15H2,1-2H3,(H,16,17)
InChIKeyXHLASESVQYKRPJ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
2-ethoxy-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 60657142
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
4-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]butanamide
CID 119299788
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)propyl]-4-(4-nitroanilino)butanamide
CID 74637625

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide (CID 43708620) is 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide is CCC(NC(=O)CCCN)c1ccc(OC)cc1.
What is the InChIKey of 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is XHLASESVQYKRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-13(16-14(17)5-4-10-15)11-6-8-12(18-2)9-7-11/h6-9,13H,3-5,10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide?
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 43708620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).