N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

C17H22N6O3 — CID 7769172

IUPACN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H22N6O3/c1-12-5-2-3-8-15(12)19-17(25)20-16(24)10-26-14-7-4-6-13(9-14)23-11-18-21-22-23/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H2,19,20,24,25)/t12-,15-/m1/s1
InChIKeyQUTDYKHCBUMIHU-IUODEOHRSA-N
MW358.40 g/mol
LogP1.45
Rot. Bonds5

About N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 7769172) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID7769172
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H22N6O3/c1-12-5-2-3-8-15(12)19-17(25)20-16(24)10-26-14-7-4-6-13(9-14)23-11-18-21-22-23/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H2,19,20,24,25)/t12-,15-/m1/s1
InChIKeyQUTDYKHCBUMIHU-IUODEOHRSA-N
XLogP1.45
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26215976
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219
1-(3-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 17461140
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
methyl 1-[2-[3-(tetrazol-1-yl)phenoxy]acetyl]piperidine-4-carboxylate
CID 7768488
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide (CID 7769172) is N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COc1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is QUTDYKHCBUMIHU-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-12-5-2-3-8-15(12)19-17(25)20-16(24)10-26-14-7-4-6-13(9-14)23-11-18-21-22-23/h4,6-7,9,11-12,15H,2-3,5,8,10H2,1H3,(H2,19,20,24,25)/t12-,15-/m1/s1.
What are the key properties of N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide?
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 7769172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).