(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide

C15H17NO2 — CID 40538690

IUPAC(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-14(12-7-4-3-5-8-12)15(17)16-11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyQRNRCWAEGLFQSU-AWEZNQCLSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide

(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide (PubChem CID 40538690) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
PubChem CID40538690
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C15H17NO2/c1-2-14(12-7-4-3-5-8-12)15(17)16-11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyQRNRCWAEGLFQSU-AWEZNQCLSA-N
XLogP3.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 673492
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide (CID 40538690) is (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide is CC[C@H](C(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The InChIKey is QRNRCWAEGLFQSU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-14(12-7-4-3-5-8-12)15(17)16-11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide?
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide is sourced from PubChem (CID 40538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).