N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide

C18H19N3O3 — CID 110866526

IUPACN-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19N3O3/c1-12(22)19-13-6-8-14(9-7-13)20-18(23)21-16-10-11-24-17-5-3-2-4-15(16)17/h2-9,16H,10-11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyFCDBDZFYBRLJAF-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.29
Rot. Bonds3

About N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide

N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide (PubChem CID 110866526) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
PubChem CID110866526
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2CCOc3ccccc32)cc1
InChIInChI=1S/C18H19N3O3/c1-12(22)19-13-6-8-14(9-7-13)20-18(23)21-16-10-11-24-17-5-3-2-4-15(16)17/h2-9,16H,10-11H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyFCDBDZFYBRLJAF-UHFFFAOYSA-N
XLogP3.29
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]urea
CID 55695771
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-fluorophenyl)urea
CID 110866586
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 95266877
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide (CID 110866526) is N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC2CCOc3ccccc32)cc1.
What is the InChIKey of N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide?
The InChIKey is FCDBDZFYBRLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(22)19-13-6-8-14(9-7-13)20-18(23)21-16-10-11-24-17-5-3-2-4-15(16)17/h2-9,16H,10-11H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide?
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 110866526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).