propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate

C14H21NO3 — CID 112738751

IUPACpropyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
SMILESCCCOC(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-4-9-18-14(16)15(3)8-10-17-13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3
InChIKeyREGBNTVATYCHJQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.85
Rot. Bonds6

About propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate

propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate (PubChem CID 112738751) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
PubChem CID112738751
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namepropyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
SMILESCCCOC(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-4-9-18-14(16)15(3)8-10-17-13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3
InChIKeyREGBNTVATYCHJQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
2-amino-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide;hydrochloride
CID 119695698
propyl 2-(3-methylphenoxy)acetate
CID 78907736
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126

Frequently Asked Questions

What is the IUPAC name of propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate?
The IUPAC name of propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate (CID 112738751) is propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate.
What is the SMILES notation for propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate?
The canonical SMILES for propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate is CCCOC(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate?
The InChIKey is REGBNTVATYCHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-18-14(16)15(3)8-10-17-13-7-5-6-12(2)11-13/h5-7,11H,4,8-10H2,1-3H3.
What are the key properties of propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate?
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate is sourced from PubChem (CID 112738751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).