N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide

C18H27NO2 — CID 168868561

IUPACN-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCOc1ccc(N(C=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)17-10-5-14(3)11-18(17)19(12-20)15-6-8-16(21-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t14-,17+,18-/m1/s1
InChIKeyGJONLJRGZIEIBY-FHLIZLRMSA-N
MW289.42 g/mol
LogP4.12
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide

N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide (PubChem CID 168868561) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
PubChem CID168868561
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCOc1ccc(N(C=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)17-10-5-14(3)11-18(17)19(12-20)15-6-8-16(21-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t14-,17+,18-/m1/s1
InChIKeyGJONLJRGZIEIBY-FHLIZLRMSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[(4-methoxyphenyl)-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]benzene
CID 102295766
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 144774700
1-methoxy-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxybenzene
CID 46702320
1-[6-[bis(5-methyl-2-propan-2-ylcyclohexyl)amino]naphthalen-2-yl]propan-1-one
CID 22413256
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
N,N-bis(5-methyl-2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 22480097
2-(N-(5-methyl-2-propan-2-ylcyclohexyl)anilino)acetic acid
CID 65057316
N-(4-methoxyphenyl)-N-(2-methylpropyl)formamide;3-methyloxetane
CID 145481945
(5-methyl-2-propan-2-ylcyclohexyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 75252742
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 174722109
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 81382365
N-benzyl-1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-1-(4-methoxyphenyl)methanamine
CID 3343548

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide (CID 168868561) is N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide is COc1ccc(N(C=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The InChIKey is GJONLJRGZIEIBY-FHLIZLRMSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)17-10-5-14(3)11-18(17)19(12-20)15-6-8-16(21-4)9-7-15/h6-9,12-14,17-18H,5,10-11H2,1-4H3/t14-,17+,18-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide has a molecular weight of 289.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide is sourced from PubChem (CID 168868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).