6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H25NO3 — CID 86962053

IUPAC6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCCc1ccc(C)cc1)CO2
InChIInChI=1S/C21H25NO3/c1-3-24-19-8-9-20-17(13-19)12-18(14-25-20)21(23)22-11-10-16-6-4-15(2)5-7-16/h4-9,13,18H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeyAJUOUADPPKHKMK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds6

About 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 86962053) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID86962053
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCOc1ccc2c(c1)CC(C(=O)NCCc1ccc(C)cc1)CO2
InChIInChI=1S/C21H25NO3/c1-3-24-19-8-9-20-17(13-19)12-18(14-25-20)21(23)22-11-10-16-6-4-15(2)5-7-16/h4-9,13,18H,3,10-12,14H2,1-2H3,(H,22,23)
InChIKeyAJUOUADPPKHKMK-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713318
N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-ethoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896269
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
6-ethoxy-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86896247
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-ethoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86897008
(3S)-N-[(4-ethoxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713220
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 119547491
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-chloro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17461192
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119547490

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 86962053) is 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCOc1ccc2c(c1)CC(C(=O)NCCc1ccc(C)cc1)CO2.
What is the InChIKey of 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AJUOUADPPKHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-3-24-19-8-9-20-17(13-19)12-18(14-25-20)21(23)22-11-10-16-6-4-15(2)5-7-16/h4-9,13,18H,3,10-12,14H2,1-2H3,(H,22,23).
What are the key properties of 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 86962053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).