N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide

C19H27NO2 — CID 126813186

IUPACN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1(C(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1
InChIInChI=1S/C19H27NO2/c1-14-5-2-3-8-17(14)19(9-10-19)18(22)20-12-15-6-4-7-16(11-15)13-21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyUPLDLQXHASKGER-JKSUJKDBSA-N
MW301.43 g/mol
LogP2.94
Rot. Bonds5

About N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 126813186) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID126813186
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1(C(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1
InChIInChI=1S/C19H27NO2/c1-14-5-2-3-8-17(14)19(9-10-19)18(22)20-12-15-6-4-7-16(11-15)13-21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3,(H,20,22)/t15-,16+/m0/s1
InChIKeyUPLDLQXHASKGER-JKSUJKDBSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylurea
CID 130921204
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-3-methylpyrazine-2-carboxamide
CID 138035484
N-(3-amino-2-methylpropyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119996800
cis-(1S,3R)-3-[[1-(2-methylphenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676617
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 119613947
N-[(3-hydroxycyclohexyl)methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 111460242
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120887824
N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350
3-[[4-(2-methylphenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119351197
N-[(1-methylpyrrolidin-3-yl)methyl]-1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 171674237
1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 110630190

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide (CID 126813186) is N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1(C(=O)NC[C@H]2CCC[C@@H](CO)C2)CC1.
What is the InChIKey of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UPLDLQXHASKGER-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14-5-2-3-8-17(14)19(9-10-19)18(22)20-12-15-6-4-7-16(11-15)13-21/h2-3,5,8,15-16,21H,4,6-7,9-13H2,1H3,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide?
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126813186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).