N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide

C26H29N3O2 — CID 17229715

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-18-27-25(30)22-14-16-24(17-15-22)28-26(31)23-12-10-21(11-13-23)20-8-6-5-7-9-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMFJIDKPKXDNARU-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.68
Rot. Bonds9

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide (PubChem CID 17229715) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
PubChem CID17229715
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O2/c1-3-29(4-2)19-18-27-25(30)22-14-16-24(17-15-22)28-26(31)23-12-10-21(11-13-23)20-8-6-5-7-9-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyMFJIDKPKXDNARU-UHFFFAOYSA-N
XLogP4.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[2-(diethylamino)ethyl]-5-[(4-phenylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42756099
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
CID 110839377
N-[2-(diethylamino)ethyl]-4-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17229819
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide (CID 17229715) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide?
The InChIKey is MFJIDKPKXDNARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-29(4-2)19-18-27-25(30)22-14-16-24(17-15-22)28-26(31)23-12-10-21(11-13-23)20-8-6-5-7-9-20/h5-17H,3-4,18-19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide has a molecular weight of 415.54 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 17229715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).