2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

C18H25N5O4 — CID 91910666

IUPAC2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESCOCCn1nc2n(c1=O)CCN(C(=O)NCc1cccc(OC)c1)CC2
InChIInChI=1S/C18H25N5O4/c1-26-11-10-23-18(25)22-9-8-21(7-6-16(22)20-23)17(24)19-13-14-4-3-5-15(12-14)27-2/h3-5,12H,6-11,13H2,1-2H3,(H,19,24)
InChIKeyIFPNJKMQXANSOV-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.47
Rot. Bonds6

About 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (PubChem CID 91910666) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
PubChem CID91910666
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
SMILESCOCCn1nc2n(c1=O)CCN(C(=O)NCc1cccc(OC)c1)CC2
InChIInChI=1S/C18H25N5O4/c1-26-11-10-23-18(25)22-9-8-21(7-6-16(22)20-23)17(24)19-13-14-4-3-5-15(12-14)27-2/h3-5,12H,6-11,13H2,1-2H3,(H,19,24)
InChIKeyIFPNJKMQXANSOV-UHFFFAOYSA-N
XLogP0.47
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide with MolForge

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Related Compounds

4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
4-[3-ethoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 70802869

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The IUPAC name of 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide (CID 91910666) is 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The canonical SMILES for 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is COCCn1nc2n(c1=O)CCN(C(=O)NCc1cccc(OC)c1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
The InChIKey is IFPNJKMQXANSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-26-11-10-23-18(25)22-9-8-21(7-6-16(22)20-23)17(24)19-13-14-4-3-5-15(12-14)27-2/h3-5,12H,6-11,13H2,1-2H3,(H,19,24).
What are the key properties of 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide?
2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 91910666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).