N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide

C19H20N2O4 — CID 54752572

IUPACN-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
SMILESCOc1ccc2c(ccc3cc(C(=O)NCCN(C)C)c(=O)oc32)c1
InChIInChI=1S/C19H20N2O4/c1-21(2)9-8-20-18(22)16-11-13-5-4-12-10-14(24-3)6-7-15(12)17(13)25-19(16)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyYLCZJJQNEPTITF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide

N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide (PubChem CID 54752572) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
PubChem CID54752572
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
SMILESCOc1ccc2c(ccc3cc(C(=O)NCCN(C)C)c(=O)oc32)c1
InChIInChI=1S/C19H20N2O4/c1-21(2)9-8-20-18(22)16-11-13-5-4-12-10-14(24-3)6-7-15(12)17(13)25-19(16)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,22)
InChIKeyYLCZJJQNEPTITF-UHFFFAOYSA-N
XLogP2.25
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
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7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
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N-[(4-methoxyphenyl)methyl]-8-methyl-2-oxochromene-3-carboxamide
CID 100794114
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892440
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
CID 71508315
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
CID 11854024
N-(4-bromophenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262383

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide (CID 54752572) is N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide is COc1ccc2c(ccc3cc(C(=O)NCCN(C)C)c(=O)oc32)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide?
The InChIKey is YLCZJJQNEPTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(2)9-8-20-18(22)16-11-13-5-4-12-10-14(24-3)6-7-15(12)17(13)25-19(16)23/h4-7,10-11H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide is sourced from PubChem (CID 54752572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).