N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide

C16H20N2O2 — CID 60661858

IUPACN-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O2/c1-2-10-17-12-15(19)18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16-17H,2,10,12H2,1H3,(H,18,19)
InChIKeyBLXHKWRYABTSHH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds7

About N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide

N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide (PubChem CID 60661858) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
PubChem CID60661858
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
SMILESCCCNCC(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C16H20N2O2/c1-2-10-17-12-15(19)18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16-17H,2,10,12H2,1H3,(H,18,19)
InChIKeyBLXHKWRYABTSHH-UHFFFAOYSA-N
XLogP2.48
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
3-chloro-N-[furan-2-yl(phenyl)methyl]propanamide
CID 60780331
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
N-[furan-2-yl(phenyl)methyl]-2-(N-methylanilino)acetamide
CID 78807275
5-[[(S)-furan-2-yl(phenyl)methyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 94553211
4-tert-butyl-N-[2-[[furan-2-yl(phenyl)methyl]amino]-2-oxoethyl]benzamide
CID 134029320
[furan-2-yl(phenyl)methyl]urea
CID 14906081
N-benzhydryl-2-(furan-2-ylmethylamino)acetamide
CID 1459234
5-chloro-N-[furan-2-yl(phenyl)methyl]pentanamide
CID 60780335
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide (CID 60661858) is N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide is CCCNCC(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide?
The InChIKey is BLXHKWRYABTSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-10-17-12-15(19)18-16(14-9-6-11-20-14)13-7-4-3-5-8-13/h3-9,11,16-17H,2,10,12H2,1H3,(H,18,19).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide?
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide is sourced from PubChem (CID 60661858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).