(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

C18H23N3O3 — CID 31297357

IUPAC(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@@H](C)CCc1ccco1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13(10-11-15-9-6-12-24-15)20-16(14-7-4-3-5-8-14)17(22)21-18(23)19-2/h3-9,12-13,16,20H,10-11H2,1-2H3,(H2,19,21,22,23)/t13-,16-/m0/s1
InChIKeyBCYGCMXVMPWQLN-BBRMVZONSA-N
MW329.40 g/mol
LogP2.39
Rot. Bonds7

About (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 31297357) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID31297357
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](N[C@@H](C)CCc1ccco1)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13(10-11-15-9-6-12-24-15)20-16(14-7-4-3-5-8-14)17(22)21-18(23)19-2/h3-9,12-13,16,20H,10-11H2,1-2H3,(H2,19,21,22,23)/t13-,16-/m0/s1
InChIKeyBCYGCMXVMPWQLN-BBRMVZONSA-N
XLogP2.39
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(furan-2-yl)butan-2-ylamino]-N-(methylcarbamoyl)propanamide
CID 60677139
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8755514
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
2-[4-(furan-2-yl)butan-2-ylamino]-N,4-dimethylpentanamide
CID 43750748
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55364071
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 31297357) is (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@@H](N[C@@H](C)CCc1ccco1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is BCYGCMXVMPWQLN-BBRMVZONSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(10-11-15-9-6-12-24-15)20-16(14-7-4-3-5-8-14)17(22)21-18(23)19-2/h3-9,12-13,16,20H,10-11H2,1-2H3,(H2,19,21,22,23)/t13-,16-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 329.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 31297357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).