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

C22H28N2O3 — CID 112827468

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCNC(=O)C1COc2ccc(OC)cc2C1)c1ccccc1C
InChIInChI=1S/C22H28N2O3/c1-4-24(20-8-6-5-7-16(20)2)12-11-23-22(25)18-13-17-14-19(26-3)9-10-21(17)27-15-18/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,23,25)
InChIKeyDHZBTRFGKQLJLK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds7

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

N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 112827468) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID112827468
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(CCNC(=O)C1COc2ccc(OC)cc2C1)c1ccccc1C
InChIInChI=1S/C22H28N2O3/c1-4-24(20-8-6-5-7-16(20)2)12-11-23-22(25)18-13-17-14-19(26-3)9-10-21(17)27-15-18/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,23,25)
InChIKeyDHZBTRFGKQLJLK-UHFFFAOYSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578277
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
(3R)-N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713318
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 112827468) is N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is CCN(CCNC(=O)C1COc2ccc(OC)cc2C1)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is DHZBTRFGKQLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-24(20-8-6-5-7-16(20)2)12-11-23-22(25)18-13-17-14-19(26-3)9-10-21(17)27-15-18/h5-10,14,18H,4,11-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 112827468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).