N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide

C16H19N3O3 — CID 47031833

IUPACN-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)NCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C16H19N3O3/c1-11-5-6-13(10-12(11)2)19-16(21)18-8-7-17-15(20)14-4-3-9-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyVPEJEXMXSZLIKD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide

N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 47031833) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
PubChem CID47031833
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)NCCNC(=O)c2ccco2)cc1C
InChIInChI=1S/C16H19N3O3/c1-11-5-6-13(10-12(11)2)19-16(21)18-8-7-17-15(20)14-4-3-9-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyVPEJEXMXSZLIKD-UHFFFAOYSA-N
XLogP2.45
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 82120675
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide (CID 47031833) is N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide is Cc1ccc(NC(=O)NCCNC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is VPEJEXMXSZLIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-6-13(10-12(11)2)19-16(21)18-8-7-17-15(20)14-4-3-9-22-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 47031833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).