N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide

C17H23N5O2 — CID 134036565

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1cncn1
InChIInChI=1S/C17H23N5O2/c1-20(17(23)6-7-22-14-18-13-19-22)12-15-2-4-16(5-3-15)21-8-10-24-11-9-21/h2-5,13-14H,6-12H2,1H3
InChIKeyYSQJSAKPPCQHRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.16
Rot. Bonds6

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

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 134036565) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID134036565
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1cncn1
InChIInChI=1S/C17H23N5O2/c1-20(17(23)6-7-22-14-18-13-19-22)12-15-2-4-16(5-3-15)21-8-10-24-11-9-21/h2-5,13-14H,6-12H2,1H3
InChIKeyYSQJSAKPPCQHRR-UHFFFAOYSA-N
XLogP1.16
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 54913567
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 70706449
N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N-[(4-bromophenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 60628391
3-[5-(2-fluorophenyl)furan-2-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 24516679

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 134036565) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1cncn1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YSQJSAKPPCQHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20(17(23)6-7-22-14-18-13-19-22)12-15-2-4-16(5-3-15)21-8-10-24-11-9-21/h2-5,13-14H,6-12H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 134036565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).