N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide

C18H19NO2 — CID 110648358

IUPACN-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCOc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(19-12-10-14-6-2-1-3-7-14)16-11-13-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20)
InChIKeyZQSJYPSWOFHMKB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.91
Rot. Bonds4

About N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide

N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 110648358) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID110648358
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCOc2ccccc21
InChIInChI=1S/C18H19NO2/c20-18(19-12-10-14-6-2-1-3-7-14)16-11-13-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20)
InChIKeyZQSJYPSWOFHMKB-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648760
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103767456
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 110648358) is N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NCCc1ccccc1)C1CCOc2ccccc21.
What is the InChIKey of N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is ZQSJYPSWOFHMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-12-10-14-6-2-1-3-7-14)16-11-13-21-17-9-5-4-8-15(16)17/h1-9,16H,10-13H2,(H,19,20).
What are the key properties of N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide?
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 110648358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).