N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide

C21H26N2O2 — CID 4162790

IUPACN-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-6-8-18(10-15(13)3)20(24)22-12-17(5)23-21(25)19-9-7-14(2)16(4)11-19/h6-11,17H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeySINARXNJESVRDY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.47
Rot. Bonds5

About N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide

N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide (PubChem CID 4162790) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide
PubChem CID4162790
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-6-8-18(10-15(13)3)20(24)22-12-17(5)23-21(25)19-9-7-14(2)16(4)11-19/h6-11,17H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeySINARXNJESVRDY-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide (CID 4162790) is N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(C)NC(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide?
The InChIKey is SINARXNJESVRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-6-8-18(10-15(13)3)20(24)22-12-17(5)23-21(25)19-9-7-14(2)16(4)11-19/h6-11,17H,12H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide?
N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylbenzoyl)amino]propyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 4162790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).