ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate

C12H16BrNO3 — CID 8962788

IUPACethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)N[C@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-4-17-12(15)14-8(2)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyUIZVRJBWZHZDOL-MRVPVSSYSA-N
MW302.17 g/mol
LogP3.26
Rot. Bonds4

About ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate

ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate (PubChem CID 8962788) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
PubChem CID8962788
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Nameethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)N[C@H](C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C12H16BrNO3/c1-4-17-12(15)14-8(2)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyUIZVRJBWZHZDOL-MRVPVSSYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119273672
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
CID 43713410
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methoxypropanamide
CID 112685677
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 81489289
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461
ethyl 4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butanoate
CID 60697010
5-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 60674614
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate (CID 8962788) is ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate is CCOC(=O)N[C@H](C)c1ccc(OC)c(Br)c1.
What is the InChIKey of ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate?
The InChIKey is UIZVRJBWZHZDOL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-4-17-12(15)14-8(2)9-5-6-11(16-3)10(13)7-9/h5-8H,4H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate?
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate has a molecular weight of 302.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 8962788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).