N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide

C23H29N3O2 — CID 23875556

IUPACN-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)C(=O)N3CCCNCC3)cc2)cc1C
InChIInChI=1S/C23H29N3O2/c1-16-5-6-20(15-17(16)2)22(27)25-21-9-7-19(8-10-21)18(3)23(28)26-13-4-11-24-12-14-26/h5-10,15,18,24H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyXAUDDBKLSNPCFJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide

N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide (PubChem CID 23875556) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide
PubChem CID23875556
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)C(=O)N3CCCNCC3)cc2)cc1C
InChIInChI=1S/C23H29N3O2/c1-16-5-6-20(15-17(16)2)22(27)25-21-9-7-19(8-10-21)18(3)23(28)26-13-4-11-24-12-14-26/h5-10,15,18,24H,4,11-14H2,1-3H3,(H,25,27)
InChIKeyXAUDDBKLSNPCFJ-UHFFFAOYSA-N
XLogP3.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide (CID 23875556) is N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(C)C(=O)N3CCCNCC3)cc2)cc1C.
What is the InChIKey of N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide?
The InChIKey is XAUDDBKLSNPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-5-6-20(15-17(16)2)22(27)25-21-9-7-19(8-10-21)18(3)23(28)26-13-4-11-24-12-14-26/h5-10,15,18,24H,4,11-14H2,1-3H3,(H,25,27).
What are the key properties of N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide?
N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 23875556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).