N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide

C23H31N3O4 — CID 17229819

IUPACN-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-26(5-2)15-14-24-22(27)18-6-10-20(11-7-18)25-23(28)19-8-12-21(13-9-19)30-17-16-29-3/h6-13H,4-5,14-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKJBPQWXNXQAWFK-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.04
Rot. Bonds12

About N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide

N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide (PubChem CID 17229819) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
PubChem CID17229819
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C23H31N3O4/c1-4-26(5-2)15-14-24-22(27)18-6-10-20(11-7-18)25-23(28)19-8-12-21(13-9-19)30-17-16-29-3/h6-13H,4-5,14-17H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKJBPQWXNXQAWFK-UHFFFAOYSA-N
XLogP3.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-[3-(4-methylphenoxy)propanoylamino]benzamide
CID 108789964
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276
4-N-(4-ethoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045187
N-[4-(diethylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 15943191
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide (CID 17229819) is N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OCCOC)cc2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide?
The InChIKey is KJBPQWXNXQAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-4-26(5-2)15-14-24-22(27)18-6-10-20(11-7-18)25-23(28)19-8-12-21(13-9-19)30-17-16-29-3/h6-13H,4-5,14-17H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide?
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.04, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 17229819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).