1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea

C22H23N3O3 — CID 134006560

IUPAC1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
SMILESCc1cc(C(=O)NNC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C22H23N3O3/c1-15-13-19(16(2)28-15)21(26)24-25-22(27)23-20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-13,20H,14H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyCCXASPDQAUOGGH-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.82
Rot. Bonds5

About 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea

1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea (PubChem CID 134006560) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
PubChem CID134006560
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
SMILESCc1cc(C(=O)NNC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)o1
InChIInChI=1S/C22H23N3O3/c1-15-13-19(16(2)28-15)21(26)24-25-22(27)23-20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-13,20H,14H2,1-2H3,(H,24,26)(H2,23,25,27)
InChIKeyCCXASPDQAUOGGH-UHFFFAOYSA-N
XLogP3.82
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 90534310
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
2,5-dimethyl-N'-[(2R)-2-phenyl-2-phenylsulfanylacetyl]furan-3-carbohydrazide
CID 7600611
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110004082
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
CID 47018404
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea?
The IUPAC name of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea (CID 134006560) is 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea.
What is the SMILES notation for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea?
The canonical SMILES for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea is Cc1cc(C(=O)NNC(=O)NC(Cc2ccccc2)c2ccccc2)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea?
The InChIKey is CCXASPDQAUOGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-13-19(16(2)28-15)21(26)24-25-22(27)23-20(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-13,20H,14H2,1-2H3,(H,24,26)(H2,23,25,27).
What are the key properties of 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea?
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea has a molecular weight of 377.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea is sourced from PubChem (CID 134006560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).