2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide

C23H27N5O4 — CID 26316937

IUPAC2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2
InChIInChI=1S/C23H27N5O4/c1-16(2)22(29)24-12-10-19-25-26-20-11-13-27(14-15-28(19)20)23(30)18-8-9-21(32-18)31-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,24,29)
InChIKeyAMFNXAMVZLQYJE-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.68
Rot. Bonds7

About 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide

2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide (PubChem CID 26316937) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
PubChem CID26316937
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2
InChIInChI=1S/C23H27N5O4/c1-16(2)22(29)24-12-10-19-25-26-20-11-13-27(14-15-28(19)20)23(30)18-8-9-21(32-18)31-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,24,29)
InChIKeyAMFNXAMVZLQYJE-UHFFFAOYSA-N
XLogP2.68
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]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-[2-[7-[(3-methoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-methylpropanamide
CID 42347720
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
N-[2-[7-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-2-phenoxyacetamide
CID 26350226
(2-ethylpyrimidin-5-yl)-[3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 56708527
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]propanamide
CID 22953723
2-(3-chlorophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 51304479
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
2-methyl-N-[[7-[(3-phenoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]butanamide
CID 45251195
2-(2-chlorophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 55576052
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide (CID 26316937) is 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide is CC(C)C(=O)NCCc1nnc2n1CCN(C(=O)c1ccc(Oc3ccccc3)o1)CC2.
What is the InChIKey of 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide?
The InChIKey is AMFNXAMVZLQYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-16(2)22(29)24-12-10-19-25-26-20-11-13-27(14-15-28(19)20)23(30)18-8-9-21(32-18)31-17-6-4-3-5-7-17/h3-9,16H,10-15H2,1-2H3,(H,24,29).
What are the key properties of 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide?
2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide has a molecular weight of 437.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[7-(5-phenoxyfuran-2-carbonyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide is sourced from PubChem (CID 26316937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).