1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea

C14H15N3O5 — CID 971429

IUPAC1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
SMILESCOc1ccc(NC(=O)NNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C14H15N3O5/c1-20-10-6-5-9(8-12(10)21-2)15-14(19)17-16-13(18)11-4-3-7-22-11/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySRVSYRFYHRQVFW-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.76
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea

1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea (PubChem CID 971429) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
PubChem CID971429
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea
SMILESCOc1ccc(NC(=O)NNC(=O)c2ccco2)cc1OC
InChIInChI=1S/C14H15N3O5/c1-20-10-6-5-9(8-12(10)21-2)15-14(19)17-16-13(18)11-4-3-7-22-11/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
InChIKeySRVSYRFYHRQVFW-UHFFFAOYSA-N
XLogP1.76
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-(4-methoxy-3-propan-2-ylphenyl)furan-2-carboxamide
CID 110776754
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)acetamide
CID 110690712
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139293
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
CID 4905370
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea (CID 971429) is 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea is COc1ccc(NC(=O)NNC(=O)c2ccco2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea?
The InChIKey is SRVSYRFYHRQVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-20-10-6-5-9(8-12(10)21-2)15-14(19)17-16-13(18)11-4-3-7-22-11/h3-8H,1-2H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea?
1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea has a molecular weight of 305.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)urea is sourced from PubChem (CID 971429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).