N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide

C24H31N3O3 — CID 84569140

IUPACN-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-27(5-2)15-14-25-23(28)18-6-10-19(11-7-18)26-24(29)22-16-21(22)17-8-12-20(30-3)13-9-17/h6-13,21-22H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOYRRCORJMBEJBF-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.51
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide (PubChem CID 84569140) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
PubChem CID84569140
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H31N3O3/c1-4-27(5-2)15-14-25-23(28)18-6-10-19(11-7-18)26-24(29)22-16-21(22)17-8-12-20(30-3)13-9-17/h6-13,21-22H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyOYRRCORJMBEJBF-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755
N-(2-methoxyethyl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430343
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 119827871
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[(3,5-dimethoxyphenyl)methyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46439035

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide (CID 84569140) is N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC2c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide?
The InChIKey is OYRRCORJMBEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-27(5-2)15-14-25-23(28)18-6-10-19(11-7-18)26-24(29)22-16-21(22)17-8-12-20(30-3)13-9-17/h6-13,21-22H,4-5,14-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzamide is sourced from PubChem (CID 84569140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).