N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H24N2O3 — CID 134041040

IUPACN-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C21H24N2O3/c1-3-23(4-2)21(25)16-9-7-10-18(13-16)22-20(24)17-12-15-8-5-6-11-19(15)26-14-17/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,22,24)
InChIKeyFHQKENPGICCBML-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134041040) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134041040
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2COc3ccccc3C2)c1
InChIInChI=1S/C21H24N2O3/c1-3-23(4-2)21(25)16-9-7-10-18(13-16)22-20(24)17-12-15-8-5-6-11-19(15)26-14-17/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,22,24)
InChIKeyFHQKENPGICCBML-UHFFFAOYSA-N
XLogP3.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
N-[3-(methylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119441088
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003658
N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119269057
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057628

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134041040) is N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2COc3ccccc3C2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FHQKENPGICCBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-23(4-2)21(25)16-9-7-10-18(13-16)22-20(24)17-12-15-8-5-6-11-19(15)26-14-17/h5-11,13,17H,3-4,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134041040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).