4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide

C16H20N2O2 — CID 63324031

IUPAC4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)CCC(N)c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O2/c1-12(15-8-5-11-20-15)18-16(19)10-9-14(17)13-6-3-2-4-7-13/h2-8,11-12,14H,9-10,17H2,1H3,(H,18,19)
InChIKeyPEUMMANGHYURIJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.94
Rot. Bonds6

About 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide

4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 63324031) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
PubChem CID63324031
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
SMILESCC(NC(=O)CCC(N)c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O2/c1-12(15-8-5-11-20-15)18-16(19)10-9-14(17)13-6-3-2-4-7-13/h2-8,11-12,14H,9-10,17H2,1H3,(H,18,19)
InChIKeyPEUMMANGHYURIJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-amino-N-[(1R)-1-(furan-2-yl)ethyl]-2-phenylacetamide
CID 81399827
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 63324335
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
4-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
CID 63842319
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-phenylbutanamide
CID 103810708

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide (CID 63324031) is 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide is CC(NC(=O)CCC(N)c1ccccc1)c1ccco1.
What is the InChIKey of 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is PEUMMANGHYURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(15-8-5-11-20-15)18-16(19)10-9-14(17)13-6-3-2-4-7-13/h2-8,11-12,14H,9-10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide?
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 63324031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).