2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide

C17H17N5O — CID 6523910

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N5O/c1-2-14(13-8-4-3-5-9-13)18-20-17(23)12-22-16-11-7-6-10-15(16)19-21-22/h3-11H,2,12H2,1H3,(H,20,23)/b18-14-
InChIKeyRRSZQFSTGCQNDX-JXAWBTAJSA-N
MW307.36 g/mol
LogP2.36
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide (PubChem CID 6523910) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
PubChem CID6523910
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
SMILESCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N5O/c1-2-14(13-8-4-3-5-9-13)18-20-17(23)12-22-16-11-7-6-10-15(16)19-21-22/h3-11H,2,12H2,1H3,(H,20,23)/b18-14-
InChIKeyRRSZQFSTGCQNDX-JXAWBTAJSA-N
XLogP2.36
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 8976215
2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 8975762
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
CID 8975823
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
CID 6525569
2-(benzotriazol-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide (CID 6523910) is 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide is CC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide?
The InChIKey is RRSZQFSTGCQNDX-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-14(13-8-4-3-5-9-13)18-20-17(23)12-22-16-11-7-6-10-15(16)19-21-22/h3-11H,2,12H2,1H3,(H,20,23)/b18-14-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide is sourced from PubChem (CID 6523910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).