N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C23H23N3O4 — CID 167896219

IUPACN-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C23H23N3O4/c1-26(23(29)20-13-8-14-30-20)16-21(27)25-19(15-17-9-4-2-5-10-17)22(28)24-18-11-6-3-7-12-18/h2-14,19H,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyOHJFCYFBNFMEGD-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.72
Rot. Bonds8

About N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 167896219) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID167896219
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C23H23N3O4/c1-26(23(29)20-13-8-14-30-20)16-21(27)25-19(15-17-9-4-2-5-10-17)22(28)24-18-11-6-3-7-12-18/h2-14,19H,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyOHJFCYFBNFMEGD-UHFFFAOYSA-N
XLogP2.72
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
S-[4-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579841
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 167896219) is N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CN(CC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is OHJFCYFBNFMEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-26(23(29)20-13-8-14-30-20)16-21(27)25-19(15-17-9-4-2-5-10-17)22(28)24-18-11-6-3-7-12-18/h2-14,19H,15-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 167896219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).