N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C26H32N2O3 — CID 108787093

IUPACN-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C26H32N2O3/c1-5-28(6-2)14-8-7-13-27-26(30)21-11-9-20(10-12-21)24-17-23(29)22-16-18(3)15-19(4)25(22)31-24/h9-12,15-17H,5-8,13-14H2,1-4H3,(H,27,30)
InChIKeyHLDZIVPRNWVQMV-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.93
Rot. Bonds9

About N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108787093) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108787093
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCCN(CC)CCCCNC(=O)c1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1
InChIInChI=1S/C26H32N2O3/c1-5-28(6-2)14-8-7-13-27-26(30)21-11-9-20(10-12-21)24-17-23(29)22-16-18(3)15-19(4)25(22)31-24/h9-12,15-17H,5-8,13-14H2,1-4H3,(H,27,30)
InChIKeyHLDZIVPRNWVQMV-UHFFFAOYSA-N
XLogP4.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.93
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-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
11-[[4-(6-methyl-4-oxochromen-2-yl)benzoyl]amino]undecanoic acid
CID 108790270
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 108787076
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108787093) is N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is CCN(CC)CCCCNC(=O)c1ccc(-c2cc(=O)c3cc(C)cc(C)c3o2)cc1.
What is the InChIKey of N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is HLDZIVPRNWVQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-5-28(6-2)14-8-7-13-27-26(30)21-11-9-20(10-12-21)24-17-23(29)22-16-18(3)15-19(4)25(22)31-24/h9-12,15-17H,5-8,13-14H2,1-4H3,(H,27,30).
What are the key properties of N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 420.55 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).