N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide

C20H21N3O4 — CID 51122093

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1ccc(NC(N)=O)cc1)=C2
InChIInChI=1S/C20H21N3O4/c1-2-26-17-5-3-4-14-10-15(12-27-18(14)17)19(24)22-11-13-6-8-16(9-7-13)23-20(21)25/h3-10H,2,11-12H2,1H3,(H,22,24)(H3,21,23,25)
InChIKeyZFJBMMJHIPLYQU-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.67
Rot. Bonds6

About N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide (PubChem CID 51122093) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
PubChem CID51122093
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1ccc(NC(N)=O)cc1)=C2
InChIInChI=1S/C20H21N3O4/c1-2-26-17-5-3-4-14-10-15(12-27-18(14)17)19(24)22-11-13-6-8-16(9-7-13)23-20(21)25/h3-10H,2,11-12H2,1H3,(H,22,24)(H3,21,23,25)
InChIKeyZFJBMMJHIPLYQU-UHFFFAOYSA-N
XLogP2.67
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide 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-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55712547
8-ethoxy-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-2H-chromene-3-carboxamide
CID 51127392
8-ethoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 55759184
8-ethoxy-N-[2-(N-methylanilino)propyl]-2H-chromene-3-carboxamide
CID 55718017
8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
CID 124843907
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
CID 55712756
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxy-2H-chromene-3-carboxamide
CID 55712399
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(8-ethoxy-2H-chromen-3-yl)methanone
CID 55712924

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide (CID 51122093) is N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NCc1ccc(NC(N)=O)cc1)=C2.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is ZFJBMMJHIPLYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-26-17-5-3-4-14-10-15(12-27-18(14)17)19(24)22-11-13-6-8-16(9-7-13)23-20(21)25/h3-10H,2,11-12H2,1H3,(H,22,24)(H3,21,23,25).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-8-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 51122093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).