N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide

C21H25NO4 — CID 72880928

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C21H25NO4/c1-2-24-11-12-25-20-10-6-4-8-18(20)21(23)22-14-16-13-17-7-3-5-9-19(17)26-15-16/h3-10,16H,2,11-15H2,1H3,(H,22,23)
InChIKeyMLPVLKHUEVJKKY-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.08
Rot. Bonds8

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide (PubChem CID 72880928) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide
PubChem CID72880928
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C21H25NO4/c1-2-24-11-12-25-20-10-6-4-8-18(20)21(23)22-14-16-13-17-7-3-5-9-19(17)26-15-16/h3-10,16H,2,11-15H2,1H3,(H,22,23)
InChIKeyMLPVLKHUEVJKKY-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55405943
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394934
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-iodobenzamide
CID 43077937
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide (CID 72880928) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide is CCOCCOc1ccccc1C(=O)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide?
The InChIKey is MLPVLKHUEVJKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-24-11-12-25-20-10-6-4-8-18(20)21(23)22-14-16-13-17-7-3-5-9-19(17)26-15-16/h3-10,16H,2,11-15H2,1H3,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 72880928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).