3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane

C20H25N3O2 — CID 142826121

IUPAC3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)NC3CC3)ccc2C)cc1.N
InChIInChI=1S/C20H22N2O2.H3N/c1-13-3-6-17(20(24)22-18-9-10-18)11-19(13)16-7-4-15(5-8-16)12-21-14(2)23;/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24);1H3
InChIKeyPTOUGUUATITXOA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds5

About 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane

3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane (PubChem CID 142826121) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane.

Molecular Properties

Compound Name3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
PubChem CID142826121
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
SMILESCC(=O)NCc1ccc(-c2cc(C(=O)NC3CC3)ccc2C)cc1.N
InChIInChI=1S/C20H22N2O2.H3N/c1-13-3-6-17(20(24)22-18-9-10-18)11-19(13)16-7-4-15(5-8-16)12-21-14(2)23;/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24);1H3
InChIKeyPTOUGUUATITXOA-UHFFFAOYSA-N
XLogP3.35
TPSA93.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane?
The IUPAC name of 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane (CID 142826121) is 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane.
What is the SMILES notation for 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane?
The canonical SMILES for 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane is CC(=O)NCc1ccc(-c2cc(C(=O)NC3CC3)ccc2C)cc1.N.
What is the InChIKey of 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane?
The InChIKey is PTOUGUUATITXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.H3N/c1-13-3-6-17(20(24)22-18-9-10-18)11-19(13)16-7-4-15(5-8-16)12-21-14(2)23;/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,23)(H,22,24);1H3.
What are the key properties of 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane?
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane has a molecular weight of 339.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane is sourced from PubChem (CID 142826121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).