propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate

C14H21NO3 — CID 23563495

IUPACpropyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1ccc(OC)c(C)c1
InChIInChI=1S/C14H21NO3/c1-4-9-18-14(16)15-8-7-12-5-6-13(17-3)11(2)10-12/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyRZGNNFVWPYPIAR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.68
Rot. Bonds6

About propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate

propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate (PubChem CID 23563495) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
PubChem CID23563495
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namepropyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
SMILESCCCOC(=O)NCCc1ccc(OC)c(C)c1
InChIInChI=1S/C14H21NO3/c1-4-9-18-14(16)15-8-7-12-5-6-13(17-3)11(2)10-12/h5-6,10H,4,7-9H2,1-3H3,(H,15,16)
InChIKeyRZGNNFVWPYPIAR-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071

Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate?
The IUPAC name of propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate (CID 23563495) is propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate?
The canonical SMILES for propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate is CCCOC(=O)NCCc1ccc(OC)c(C)c1.
What is the InChIKey of propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate?
The InChIKey is RZGNNFVWPYPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-18-14(16)15-8-7-12-5-6-13(17-3)11(2)10-12/h5-6,10H,4,7-9H2,1-3H3,(H,15,16).
What are the key properties of propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate?
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 23563495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).