N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide

C18H26N2O3 — CID 163208932

IUPACN-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide
SMILESCCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(C)=O)C2C
InChIInChI=1S/C18H26N2O3/c1-5-20(6-2)14-7-8-15-12(3)16(9-10-19-13(4)21)18(22)23-17(15)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyJZPZMJMHMUHNAC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.70
Rot. Bonds6

About N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide

N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide (PubChem CID 163208932) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide
PubChem CID163208932
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide
SMILESCCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(C)=O)C2C
InChIInChI=1S/C18H26N2O3/c1-5-20(6-2)14-7-8-15-12(3)16(9-10-19-13(4)21)18(22)23-17(15)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,19,21)
InChIKeyJZPZMJMHMUHNAC-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]-N-methylpropanamide
CID 163208966
1-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]-3-[(4-phenylphenyl)methyl]urea
CID 175210329
amino 3-[[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethoxycarbonylamino]methyl]benzoate
CID 175212649
2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 163209079
2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl N-(3H-benzimidazol-5-ylmethyl)carbamate
CID 175221442
(E)-3-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 163209042
7-(diethylamino)-4-hydroxy-3,4-dihydrochromen-2-one
CID 163209041
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
[3,6-bis(diethylamino)-9H-xanthen-9-yl]-(2-methylphenyl)methanone
CID 70402921
ethyl 7-(diethylamino)-2-oxo-3,4-dihydrochromene-3-carboxylate
CID 175647610
3-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]-7-pyridin-3-ylsulfonyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 163208989
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide (CID 163208932) is N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide is CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(C)=O)C2C.
What is the InChIKey of N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide?
The InChIKey is JZPZMJMHMUHNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-20(6-2)14-7-8-15-12(3)16(9-10-19-13(4)21)18(22)23-17(15)11-14/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide?
N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(diethylamino)-4-methyl-2-oxo-3,4-dihydrochromen-3-yl]ethyl]acetamide is sourced from PubChem (CID 163208932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).