N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide

C21H19N3O4 — CID 46494251

IUPACN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2occc2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c22-18(25)13-24-20(26)16-8-6-14(7-9-16)12-23-21(27)19-17(10-11-28-19)15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,22,25)(H,23,27)(H,24,26)
InChIKeyZUTNKOAGVJTNHS-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.09
Rot. Bonds7

About N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide (PubChem CID 46494251) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
PubChem CID46494251
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)c2occc2-c2ccccc2)cc1
InChIInChI=1S/C21H19N3O4/c22-18(25)13-24-20(26)16-8-6-14(7-9-16)12-23-21(27)19-17(10-11-28-19)15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,22,25)(H,23,27)(H,24,26)
InChIKeyZUTNKOAGVJTNHS-UHFFFAOYSA-N
XLogP2.09
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 46494653
3-methyl-4-oxo-N-[(4-phenylphenyl)methyl]pyran-2-carboxamide
CID 118146956
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46494458
N-(2-amino-2-oxoethyl)-3-bromofuran-2-carboxamide
CID 130634636
(2S)-2-hydroxy-3-[(3-phenylfuran-2-carbonyl)amino]propanoic acid
CID 107832817
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(benzenesulfonylmethyl)furan-2-carboxamide
CID 55737426
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-(benzamidomethyl)benzoic acid
CID 10879683
(2S)-4-methyl-2-[[2-[(3-phenylfuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695237
3-[4-(hydrazinecarbonyl)phenyl]furan-2-carboxamide
CID 152505034

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide (CID 46494251) is N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide is NC(=O)CNC(=O)c1ccc(CNC(=O)c2occc2-c2ccccc2)cc1.
What is the InChIKey of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide?
The InChIKey is ZUTNKOAGVJTNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c22-18(25)13-24-20(26)16-8-6-14(7-9-16)12-23-21(27)19-17(10-11-28-19)15-4-2-1-3-5-15/h1-11H,12-13H2,(H2,22,25)(H,23,27)(H,24,26).
What are the key properties of N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide?
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 46494251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).