1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea

C16H18N6O7 — CID 4613437

IUPAC1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C16H18N6O7/c1-28-13-5-4-10(22(26)27)7-12(13)19-16(25)21-20-14(23)9-18-15(24)17-8-11-3-2-6-29-11/h2-7H,8-9H2,1H3,(H,20,23)(H2,17,18,24)(H2,19,21,25)
InChIKeyUTVTWHRRGQSPKN-UHFFFAOYSA-N
MW406.36 g/mol
LogP0.85
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea

1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea (PubChem CID 4613437) has the molecular formula C16H18N6O7 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea
PubChem CID4613437
Molecular FormulaC16H18N6O7
Molecular Weight406.36 g/mol
Exact Mass406.12
IUPAC Name1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)NCc1ccco1
InChIInChI=1S/C16H18N6O7/c1-28-13-5-4-10(22(26)27)7-12(13)19-16(25)21-20-14(23)9-18-15(24)17-8-11-3-2-6-29-11/h2-7H,8-9H2,1H3,(H,20,23)(H2,17,18,24)(H2,19,21,25)
InChIKeyUTVTWHRRGQSPKN-UHFFFAOYSA-N
XLogP0.85
TPSA176.87 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 50.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
1-[(3-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108898973
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118377
2-(furan-2-ylmethylsulfanyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 112781013
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
2-(furan-2-ylmethylamino)-4-(2-methoxy-4-nitroanilino)-4-oxobutanoic acid
CID 18858543
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-(furan-2-ylmethyl)-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620231
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea (CID 4613437) is 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea is COc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)CNC(=O)NCc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea?
The InChIKey is UTVTWHRRGQSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O7/c1-28-13-5-4-10(22(26)27)7-12(13)19-16(25)21-20-14(23)9-18-15(24)17-8-11-3-2-6-29-11/h2-7H,8-9H2,1H3,(H,20,23)(H2,17,18,24)(H2,19,21,25).
What are the key properties of 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea?
1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea has a molecular weight of 406.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[2-[2-[(2-methoxy-5-nitrophenyl)carbamoyl]hydrazinyl]-2-oxoethyl]urea is sourced from PubChem (CID 4613437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).