methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate

C14H21NO3 — CID 110788929

IUPACmethyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-6-5-12(9-11(13)3)7-8-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyOYXOAKVQOWQCJF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.68
Rot. Bonds5

About methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate

methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate (PubChem CID 110788929) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
PubChem CID110788929
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO3/c1-10(2)18-13-6-5-12(9-11(13)3)7-8-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16)
InChIKeyOYXOAKVQOWQCJF-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
2-methyl-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 110782084
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
CID 142673464
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate (CID 110788929) is methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate is COC(=O)NCCc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate?
The InChIKey is OYXOAKVQOWQCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-13-6-5-12(9-11(13)3)7-8-15-14(16)17-4/h5-6,9-10H,7-8H2,1-4H3,(H,15,16).
What are the key properties of methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate?
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate is sourced from PubChem (CID 110788929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).