3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide

C14H19BrN2O3 — CID 64891134

IUPAC3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(N)CCOC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9(10-3-4-12(19-2)11(15)7-10)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyLXMVSHAJNNSZSI-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.75
Rot. Bonds4

About 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide (PubChem CID 64891134) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
PubChem CID64891134
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(N)CCOC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9(10-3-4-12(19-2)11(15)7-10)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyLXMVSHAJNNSZSI-UHFFFAOYSA-N
XLogP1.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64892125
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 47119084
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]acetamide
CID 43713382
ethyl N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962784
ethyl N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]carbamate
CID 8962788

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide (CID 64891134) is 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide is COc1ccc(C(C)NC(=O)C2(N)CCOC2)cc1Br.
What is the InChIKey of 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is LXMVSHAJNNSZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9(10-3-4-12(19-2)11(15)7-10)17-13(18)14(16)5-6-20-8-14/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).