2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

C17H23N5O2 — CID 99631991

IUPAC2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCOC1CCC(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5O2/c1-24-15-8-4-12(5-9-15)10-16(23)18-11-13-2-6-14(7-3-13)17-19-21-22-20-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyOQWKCDPCXFEKNA-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds6

About 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide

2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 99631991) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
PubChem CID99631991
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
SMILESCOC1CCC(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C17H23N5O2/c1-24-15-8-4-12(5-9-15)10-16(23)18-11-13-2-6-14(7-3-13)17-19-21-22-20-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyOQWKCDPCXFEKNA-UHFFFAOYSA-N
XLogP2.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 120591918
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119778405
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
(2E,4Z)-4-ethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]hexa-2,4-dienamide
CID 167788668
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
2-amino-2-(oxan-4-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 120792568
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
2-(azepan-1-yl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 75423019
4-[[(2-cyclobutylacetyl)amino]methyl]benzoic acid
CID 113265035
4-[[4-(2H-tetrazol-5-yl)anilino]methyl]benzoic acid
CID 57457060

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide (CID 99631991) is 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is COC1CCC(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is OQWKCDPCXFEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-15-8-4-12(5-9-15)10-16(23)18-11-13-2-6-14(7-3-13)17-19-21-22-20-17/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide?
2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 99631991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).