N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide

C19H25N5O2 — CID 136578967

IUPACN,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N2CCCCCC2c2ccccc2)nn1
InChIInChI=1S/C19H25N5O2/c1-22(2)18(25)14-23-13-16(20-21-23)19(26)24-12-8-4-7-11-17(24)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3
InChIKeyVXEYUIVCWJJQIR-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.12
Rot. Bonds4

About N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide

N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide (PubChem CID 136578967) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
PubChem CID136578967
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)N2CCCCCC2c2ccccc2)nn1
InChIInChI=1S/C19H25N5O2/c1-22(2)18(25)14-23-13-16(20-21-23)19(26)24-12-8-4-7-11-17(24)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3
InChIKeyVXEYUIVCWJJQIR-UHFFFAOYSA-N
XLogP2.12
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119213030
(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
N,N-dimethyl-2-[4-(4-methylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 86863777
2-[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]triazol-1-yl]-N,N-dimethylacetamide
CID 120734604
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 26334855
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone
CID 138027573
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide (CID 136578967) is N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide is CN(C)C(=O)Cn1cc(C(=O)N2CCCCCC2c2ccccc2)nn1.
What is the InChIKey of N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide?
The InChIKey is VXEYUIVCWJJQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(2)18(25)14-23-13-16(20-21-23)19(26)24-12-8-4-7-11-17(24)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide?
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide is sourced from PubChem (CID 136578967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).