[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate

C18H29NO3 — CID 123694763

IUPAC[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
SMILESCCCC(CC)NC(=O)OC(C)C(OC)c1ccccc1C
InChIInChI=1S/C18H29NO3/c1-6-10-15(7-2)19-18(20)22-14(4)17(21-5)16-12-9-8-11-13(16)3/h8-9,11-12,14-15,17H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyGAJLTUDAFXRJIQ-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.38
Rot. Bonds8

About [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate

[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate (PubChem CID 123694763) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate.

Molecular Properties

Compound Name[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
PubChem CID123694763
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
SMILESCCCC(CC)NC(=O)OC(C)C(OC)c1ccccc1C
InChIInChI=1S/C18H29NO3/c1-6-10-15(7-2)19-18(20)22-14(4)17(21-5)16-12-9-8-11-13(16)3/h8-9,11-12,14-15,17H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyGAJLTUDAFXRJIQ-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
CID 123697501
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
[(1S,2S)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] 3-methylbutanoate
CID 157293232
[1-methoxy-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 123940919
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
CID 123225281
methyl 2-(hexan-3-ylamino)-2-oxoacetate
CID 112617114
1-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81373255

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate?
The IUPAC name of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate (CID 123694763) is [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate.
What is the SMILES notation for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate?
The canonical SMILES for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate is CCCC(CC)NC(=O)OC(C)C(OC)c1ccccc1C.
What is the InChIKey of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate?
The InChIKey is GAJLTUDAFXRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-10-15(7-2)19-18(20)22-14(4)17(21-5)16-12-9-8-11-13(16)3/h8-9,11-12,14-15,17H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate?
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate has a molecular weight of 307.43 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate is sourced from PubChem (CID 123694763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).