2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide

C26H29N3O2 — CID 7125440

IUPAC2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N(C)C
InChIInChI=1S/C26H29N3O2/c1-5-29(6-2)26(31)23-18-22(16-17-24(23)28(3)4)27-25(30)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-18H,5-6H2,1-4H3,(H,27,30)
InChIKeyAMTUFJSPKXWQTG-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.15
Rot. Bonds7

About 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide

2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide (PubChem CID 7125440) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
PubChem CID7125440
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N(C)C
InChIInChI=1S/C26H29N3O2/c1-5-29(6-2)26(31)23-18-22(16-17-24(23)28(3)4)27-25(30)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-18H,5-6H2,1-4H3,(H,27,30)
InChIKeyAMTUFJSPKXWQTG-UHFFFAOYSA-N
XLogP5.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
N,N-diethyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3374189
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-4-phenylbenzamide
CID 3877371
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 42659109
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N,N-diethylbenzamide
CID 811746
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide (CID 7125440) is 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide is CCN(CC)C(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide?
The InChIKey is AMTUFJSPKXWQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-5-29(6-2)26(31)23-18-22(16-17-24(23)28(3)4)27-25(30)21-14-12-20(13-15-21)19-10-8-7-9-11-19/h7-18H,5-6H2,1-4H3,(H,27,30).
What are the key properties of 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide?
2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N,N-diethyl-5-[(4-phenylbenzoyl)amino]benzamide is sourced from PubChem (CID 7125440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).