N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

C18H25N5O2 — CID 70787970

IUPACN-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-14(2)23-13-19-20-17(23)12-21(3)18(24)15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,13-14H,8-12H2,1-3H3
InChIKeySLEVTQIWXLXILY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide

N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 70787970) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID70787970
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCC(C)n1cnnc1CN(C)C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C18H25N5O2/c1-14(2)23-13-19-20-17(23)12-21(3)18(24)15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,13-14H,8-12H2,1-3H3
InChIKeySLEVTQIWXLXILY-UHFFFAOYSA-N
XLogP1.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide 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-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide (CID 70787970) is N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is CC(C)n1cnnc1CN(C)C(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is SLEVTQIWXLXILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(2)23-13-19-20-17(23)12-21(3)18(24)15-6-4-5-7-16(15)22-8-10-25-11-9-22/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide?
N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 70787970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).