N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide

C24H34N4O2 — CID 42747663

IUPACN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C
InChIInChI=1S/C24H34N4O2/c1-5-28(6-2)17-16-25-24(30)21-18-20(13-14-22(21)27(3)4)26-23(29)15-12-19-10-8-7-9-11-19/h7-11,13-14,18H,5-6,12,15-17H2,1-4H3,(H,25,30)(H,26,29)
InChIKeySDHLZCSRRNJWIG-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.40
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide

N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide (PubChem CID 42747663) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
PubChem CID42747663
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
SMILESCCN(CC)CCNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C
InChIInChI=1S/C24H34N4O2/c1-5-28(6-2)17-16-25-24(30)21-18-20(13-14-22(21)27(3)4)26-23(29)15-12-19-10-8-7-9-11-19/h7-11,13-14,18H,5-6,12,15-17H2,1-4H3,(H,25,30)(H,26,29)
InChIKeySDHLZCSRRNJWIG-UHFFFAOYSA-N
XLogP3.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
5-[(3,4-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(dimethylamino)benzamide
CID 3391950
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 42756324
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 42747675
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide (CID 42747663) is N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The InChIKey is SDHLZCSRRNJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-5-28(6-2)17-16-25-24(30)21-18-20(13-14-22(21)27(3)4)26-23(29)15-12-19-10-8-7-9-11-19/h7-11,13-14,18H,5-6,12,15-17H2,1-4H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide has a molecular weight of 410.56 g/mol, XLogP of 3.40, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 42747663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).