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

C22H29N3O2 — CID 5021314

IUPAC2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-16-9-11-17(12-10-16)21(26)23-18-13-14-20(24(4)5)19(15-18)22(27)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,23,26)
InChIKeyHYZNDDKSJDEKSU-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.05
Rot. Bonds7

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

2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide (PubChem CID 5021314) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
PubChem CID5021314
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C22H29N3O2/c1-6-16-9-11-17(12-10-16)21(26)23-18-13-14-20(24(4)5)19(15-18)22(27)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,23,26)
InChIKeyHYZNDDKSJDEKSU-UHFFFAOYSA-N
XLogP4.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.05
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-phenylbenzoyl)amino]benzamide
CID 7125440
2-(dimethylamino)-N,N-diethyl-5-[(2-methylbenzoyl)amino]benzamide
CID 3533936
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
N-[3-(diethylcarbamoyl)-4-(dimethylamino)phenyl]thiophene-2-carboxamide
CID 811745
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
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
N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
CID 42747741

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide (CID 5021314) is 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide is CCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide?
The InChIKey is HYZNDDKSJDEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-16-9-11-17(12-10-16)21(26)23-18-13-14-20(24(4)5)19(15-18)22(27)25(7-2)8-3/h9-15H,6-8H2,1-5H3,(H,23,26).
What are the key properties of 2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide?
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide has a molecular weight of 367.49 g/mol, XLogP of 4.05, 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-ethylbenzoyl)amino]benzamide is sourced from PubChem (CID 5021314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).