N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide

C17H21N3O3 — CID 71984777

IUPACN-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N(C)C(C)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-12(16-9-6-10-23-16)19(3)17(22)18-14-7-5-8-15(11-14)20(4)13(2)21/h5-12H,1-4H3,(H,18,22)
InChIKeyWNYCDVCWCLPAGS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.49
Rot. Bonds4

About N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide

N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide (PubChem CID 71984777) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
PubChem CID71984777
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N(C)C(C)c2ccco2)c1
InChIInChI=1S/C17H21N3O3/c1-12(16-9-6-10-23-16)19(3)17(22)18-14-7-5-8-15(11-14)20(4)13(2)21/h5-12H,1-4H3,(H,18,22)
InChIKeyWNYCDVCWCLPAGS-UHFFFAOYSA-N
XLogP3.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide 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

3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 86927115
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-[acetyl(methyl)amino]phenyl]-2-phenoxypropanamide
CID 46761865
1-[1-(furan-2-yl)ethyl]-3-[4-(3-methoxypropylsulfanyl)phenyl]-1-methylurea
CID 75371173
N-[3-[acetyl(methyl)amino]phenyl]-2-chlorobenzamide
CID 46761791
N-[3-[acetyl(methyl)amino]phenyl]-4-fluorobenzamide
CID 46761784
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methylpropyl)benzamide
CID 119047722
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 46761948

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide (CID 71984777) is N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(NC(=O)N(C)C(C)c2ccco2)c1.
What is the InChIKey of N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide?
The InChIKey is WNYCDVCWCLPAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(16-9-6-10-23-16)19(3)17(22)18-14-7-5-8-15(11-14)20(4)13(2)21/h5-12H,1-4H3,(H,18,22).
What are the key properties of N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide?
N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide has a molecular weight of 315.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 71984777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).