methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate

C15H17N3O4 — CID 51085537

IUPACmethyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C15H17N3O4/c1-18(10-13-7-4-8-22-13)14(19)16-11-5-3-6-12(9-11)17-15(20)21-2/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJJUNNDVVVIKFHB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.12
Rot. Bonds4

About methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate

methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate (PubChem CID 51085537) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
PubChem CID51085537
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C15H17N3O4/c1-18(10-13-7-4-8-22-13)14(19)16-11-5-3-6-12(9-11)17-15(20)21-2/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyJJUNNDVVVIKFHB-UHFFFAOYSA-N
XLogP3.12
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate 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

methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 46827614
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5004523
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422
3-(2-chloro-6-methylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 74227068
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5015245
N-(3-aminophenyl)-3-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526610
2-chloro-6-[[furan-2-ylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724318
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate (CID 51085537) is methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate?
The InChIKey is JJUNNDVVVIKFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18(10-13-7-4-8-22-13)14(19)16-11-5-3-6-12(9-11)17-15(20)21-2/h3-9H,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate?
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate has a molecular weight of 303.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate is sourced from PubChem (CID 51085537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).