methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate

C13H14N2O3 — CID 55161652

IUPACmethyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)15-12-4-2-11(3-5-12)14-8-10-6-7-18-9-10/h2-7,9,14H,8H2,1H3,(H,15,16)
InChIKeyCTVQRMDPVVJGBV-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.07
Rot. Bonds4

About methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate

methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate (PubChem CID 55161652) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
PubChem CID55161652
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccoc2)cc1
InChIInChI=1S/C13H14N2O3/c1-17-13(16)15-12-4-2-11(3-5-12)14-8-10-6-7-18-9-10/h2-7,9,14H,8H2,1H3,(H,15,16)
InChIKeyCTVQRMDPVVJGBV-UHFFFAOYSA-N
XLogP3.07
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-(furan-3-ylmethylamino)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

N-(furan-3-ylmethyl)aniline
CID 18938795
4-N-(furan-3-ylmethyl)benzene-1,4-diamine;hydrochloride
CID 22486431
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
methyl N-[4-(hydroxymethyl)phenyl]carbamate
CID 64793961
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
CID 63204868
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
methyl N-[4-[(2-bromophenyl)methylamino]phenyl]carbamate
CID 43730286
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
methyl N-[4-[(2,3-dimethylphenyl)methylamino]phenyl]carbamate
CID 60981212

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate (CID 55161652) is methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate is COC(=O)Nc1ccc(NCc2ccoc2)cc1.
What is the InChIKey of methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate?
The InChIKey is CTVQRMDPVVJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-13(16)15-12-4-2-11(3-5-12)14-8-10-6-7-18-9-10/h2-7,9,14H,8H2,1H3,(H,15,16).
What are the key properties of methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate?
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate has a molecular weight of 246.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 55161652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).