1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea

C17H21N3O3 — CID 42952795

IUPAC1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
SMILESCc1occc1C(=O)NNC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12(8-9-14-6-4-3-5-7-14)18-17(22)20-19-16(21)15-10-11-23-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyMEIRGWNHMXRTMF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.55
Rot. Bonds5

About 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea

1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea (PubChem CID 42952795) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
PubChem CID42952795
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea
SMILESCc1occc1C(=O)NNC(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-12(8-9-14-6-4-3-5-7-14)18-17(22)20-19-16(21)15-10-11-23-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H2,18,20,22)
InChIKeyMEIRGWNHMXRTMF-UHFFFAOYSA-N
XLogP2.55
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.55
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

2-methyl-N'-(2-phenylmethoxypropanoyl)furan-3-carbohydrazide
CID 46480731
N-[(2S)-1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7601258
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2-methyl-N'-(4-methylpentanoyl)furan-3-carbohydrazide
CID 31287028
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
CID 2554170
3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)butanoic acid
CID 5149828
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea?
The IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea (CID 42952795) is 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea.
What is the SMILES notation for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea?
The canonical SMILES for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea is Cc1occc1C(=O)NNC(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea?
The InChIKey is MEIRGWNHMXRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(8-9-14-6-4-3-5-7-14)18-17(22)20-19-16(21)15-10-11-23-13(15)2/h3-7,10-12H,8-9H2,1-2H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea?
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-phenylbutan-2-yl)urea is sourced from PubChem (CID 42952795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).