2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide

C18H24N2O2 — CID 8755034

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/t18-/m0/s1
InChIKeyKDZFSYIHAZFVSD-SFHVURJKSA-N
MW300.40 g/mol
LogP3.12
Rot. Bonds8

About 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide (PubChem CID 8755034) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
PubChem CID8755034
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/t18-/m0/s1
InChIKeyKDZFSYIHAZFVSD-SFHVURJKSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8756444
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602
N-[2-(3-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756406
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8755940
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755824

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide (CID 8755034) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN[C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
The InChIKey is KDZFSYIHAZFVSD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14(2)10-11-19-17(21)13-20-18(16-9-6-12-22-16)15-7-4-3-5-8-15/h3-9,12,14,18,20H,10-11,13H2,1-2H3,(H,19,21)/t18-/m0/s1.
What are the key properties of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 8755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).