N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide

C12H15NO2 — CID 42891679

IUPACN-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-2-13-12(14)10-7-9-5-3-4-6-11(9)15-8-10/h3-6,10H,2,7-8H2,1H3,(H,13,14)
InChIKeyZXFGXNBAZBOPFG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.37
Rot. Bonds2

About N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide

N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 42891679) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID42891679
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C12H15NO2/c1-2-13-12(14)10-7-9-5-3-4-6-11(9)15-8-10/h3-6,10H,2,7-8H2,1H3,(H,13,14)
InChIKeyZXFGXNBAZBOPFG-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113227517
N-(2-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044830
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
4-(3,4-dihydro-2H-chromene-3-carbonylamino)-3-methylbutanoic acid
CID 81064741
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 42891679) is N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide is CCNC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZXFGXNBAZBOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-13-12(14)10-7-9-5-3-4-6-11(9)15-8-10/h3-6,10H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 42891679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).