N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide

C17H24N6O — CID 37224623

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
SMILESCc1cc(NCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1-n1cnnn1
InChIInChI=1S/C17H24N6O/c1-12-5-3-4-6-15(12)20-17(24)10-18-14-7-8-16(13(2)9-14)23-11-19-21-22-23/h7-9,11-12,15,18H,3-6,10H2,1-2H3,(H,20,24)/t12-,15-/m1/s1
InChIKeyZJGGIHZYCNLCOH-IUODEOHRSA-N
MW328.42 g/mol
LogP2.08
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide (PubChem CID 37224623) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
PubChem CID37224623
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
SMILESCc1cc(NCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1-n1cnnn1
InChIInChI=1S/C17H24N6O/c1-12-5-3-4-6-15(12)20-17(24)10-18-14-7-8-16(13(2)9-14)23-11-19-21-22-23/h7-9,11-12,15,18H,3-6,10H2,1-2H3,(H,20,24)/t12-,15-/m1/s1
InChIKeyZJGGIHZYCNLCOH-IUODEOHRSA-N
XLogP2.08
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 37224624
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 32974148
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 95285313
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
4-methyl-N-(2-methylcyclopentyl)-3-(tetrazol-1-yl)aniline
CID 65044046
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-[4-(cyclopentylmethylamino)phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 51134126
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-methyl-3-(tetrazol-1-yl)anilino]acetamide
CID 33011990
2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
CID 31761761

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide (CID 37224623) is N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide is Cc1cc(NCC(=O)N[C@@H]2CCCC[C@H]2C)ccc1-n1cnnn1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is ZJGGIHZYCNLCOH-IUODEOHRSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-5-3-4-6-15(12)20-17(24)10-18-14-7-8-16(13(2)9-14)23-11-19-21-22-23/h7-9,11-12,15,18H,3-6,10H2,1-2H3,(H,20,24)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 37224623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).