N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide

C23H27NO5 — CID 55712756

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)N(C)CCc1ccc(OC)c(OC)c1)=C2
InChIInChI=1S/C23H27NO5/c1-5-28-20-8-6-7-17-14-18(15-29-22(17)20)23(25)24(2)12-11-16-9-10-19(26-3)21(13-16)27-4/h6-10,13-14H,5,11-12,15H2,1-4H3
InChIKeyWVQXJUNTBNXEJP-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.58
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide (PubChem CID 55712756) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
PubChem CID55712756
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)N(C)CCc1ccc(OC)c(OC)c1)=C2
InChIInChI=1S/C23H27NO5/c1-5-28-20-8-6-7-17-14-18(15-29-22(17)20)23(25)24(2)12-11-16-9-10-19(26-3)21(13-16)27-4/h6-10,13-14H,5,11-12,15H2,1-4H3
InChIKeyWVQXJUNTBNXEJP-UHFFFAOYSA-N
XLogP3.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(8-ethoxy-2H-chromen-3-yl)methanone
CID 55712924
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
CID 22729212
methyl 4-(difluoromethoxy)-2-[(8-ethoxy-2H-chromene-3-carbonyl)amino]-5-methoxybenzoate
CID 55758851
(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2-ethoxyphenyl)propanamide
CID 9461387
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1H-pyrazol-5-yl)benzamide
CID 72928420
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 26826251

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide (CID 55712756) is N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)N(C)CCc1ccc(OC)c(OC)c1)=C2.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is WVQXJUNTBNXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-5-28-20-8-6-7-17-14-18(15-29-22(17)20)23(25)24(2)12-11-16-9-10-19(26-3)21(13-16)27-4/h6-10,13-14H,5,11-12,15H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 55712756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).