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

C15H17N3O3 — CID 8755288

IUPAC2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-16-15(20)18-13(19)10-17-14(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-9,14,17H,10H2,1H3,(H2,16,18,19,20)/t14-/m0/s1
InChIKeySGRCEROLITYFML-AWEZNQCLSA-N
MW287.32 g/mol
LogP1.41
Rot. Bonds5

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

2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide (PubChem CID 8755288) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
PubChem CID8755288
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN[C@@H](c1ccccc1)c1ccco1
InChIInChI=1S/C15H17N3O3/c1-16-15(20)18-13(19)10-17-14(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-9,14,17H,10H2,1H3,(H2,16,18,19,20)/t14-/m0/s1
InChIKeySGRCEROLITYFML-AWEZNQCLSA-N
XLogP1.41
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412
N-(butylcarbamoyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756602
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755962
N-(2-benzylphenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755114
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(3-phenylpropyl)acetamide
CID 8696124

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide (CID 8755288) is 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN[C@@H](c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is SGRCEROLITYFML-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-15(20)18-13(19)10-17-14(12-8-5-9-21-12)11-6-3-2-4-7-11/h2-9,14,17H,10H2,1H3,(H2,16,18,19,20)/t14-/m0/s1.
What are the key properties of 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide?
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 8755288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).