N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide

C18H24N2O3 — CID 9433163

IUPACN-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)oc2cc(CC)ccc12
InChIInChI=1S/C18H24N2O3/c1-4-13-7-8-15-14(10-18(22)23-16(15)9-13)11-20(6-3)12-17(21)19-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyYPEUPLUKPLEVGD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.31
Rot. Bonds7

About N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide

N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide (PubChem CID 9433163) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
PubChem CID9433163
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cc(=O)oc2cc(CC)ccc12
InChIInChI=1S/C18H24N2O3/c1-4-13-7-8-15-14(10-18(22)23-16(15)9-13)11-20(6-3)12-17(21)19-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeyYPEUPLUKPLEVGD-UHFFFAOYSA-N
XLogP2.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-ethyl-2-oxochromen-4-yl)methyl-propylamino]-N-propylacetamide
CID 87018454
N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201171
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
6-ethyl-4-[[ethyl(2-hydroxyethyl)amino]methyl]chromen-2-one
CID 7198680
7-ethyl-4-(methoxymethyl)chromen-2-one
CID 88901844
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
N-(4-acetamidophenyl)-2-[ethyl-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]amino]acetamide
CID 55354601
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide (CID 9433163) is N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1cc(=O)oc2cc(CC)ccc12.
What is the InChIKey of N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide?
The InChIKey is YPEUPLUKPLEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-13-7-8-15-14(10-18(22)23-16(15)9-13)11-20(6-3)12-17(21)19-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide?
N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 9433163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).