4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide

C17H25N3O2 — CID 4567717

IUPAC4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide
SMILESCC1CCCC(NCC(=O)Nc2ccc(C(N)=O)cc2)C1C
InChIInChI=1S/C17H25N3O2/c1-11-4-3-5-15(12(11)2)19-10-16(21)20-14-8-6-13(7-9-14)17(18)22/h6-9,11-12,15,19H,3-5,10H2,1-2H3,(H2,18,22)(H,20,21)
InChIKeyQGYCWXHMMROHGB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.14
Rot. Bonds5

About 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide

4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide (PubChem CID 4567717) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide
PubChem CID4567717
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide
SMILESCC1CCCC(NCC(=O)Nc2ccc(C(N)=O)cc2)C1C
InChIInChI=1S/C17H25N3O2/c1-11-4-3-5-15(12(11)2)19-10-16(21)20-14-8-6-13(7-9-14)17(18)22/h6-9,11-12,15,19H,3-5,10H2,1-2H3,(H2,18,22)(H,20,21)
InChIKeyQGYCWXHMMROHGB-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide (CID 4567717) is 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide is CC1CCCC(NCC(=O)Nc2ccc(C(N)=O)cc2)C1C.
What is the InChIKey of 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide?
The InChIKey is QGYCWXHMMROHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-4-3-5-15(12(11)2)19-10-16(21)20-14-8-6-13(7-9-14)17(18)22/h6-9,11-12,15,19H,3-5,10H2,1-2H3,(H2,18,22)(H,20,21).
What are the key properties of 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide?
4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide has a molecular weight of 303.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]benzamide is sourced from PubChem (CID 4567717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).