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

C19H21NO2 — CID 134044830

IUPACN-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(CNC(=O)C1COc2ccccc2C1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14(15-7-3-2-4-8-15)12-20-19(21)17-11-16-9-5-6-10-18(16)22-13-17/h2-10,14,17H,11-13H2,1H3,(H,20,21)
InChIKeyASOHSXBREQECOP-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.16
Rot. Bonds4

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

N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134044830) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134044830
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(CNC(=O)C1COc2ccccc2C1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-14(15-7-3-2-4-8-15)12-20-19(21)17-11-16-9-5-6-10-18(16)22-13-17/h2-10,14,17H,11-13H2,1H3,(H,20,21)
InChIKeyASOHSXBREQECOP-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
3-(3,4-dihydro-2H-chromene-3-carbonylamino)-2-methyl-3-phenylpropanoic acid
CID 119218779
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
(3R)-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92815027
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111451003
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 134044830) is N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(CNC(=O)C1COc2ccccc2C1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ASOHSXBREQECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(15-7-3-2-4-8-15)12-20-19(21)17-11-16-9-5-6-10-18(16)22-13-17/h2-10,14,17H,11-13H2,1H3,(H,20,21).
What are the key properties of N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134044830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).