N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide

C16H23BrN2O2 — CID 81287725

IUPACN-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C16H23BrN2O2/c1-3-7-18-15-10-21-9-13(15)16(20)19-14-6-5-12(17)8-11(14)4-2/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyKXLHOJMEIJXCFP-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.96
Rot. Bonds6

About N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide

N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 81287725) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID81287725
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C16H23BrN2O2/c1-3-7-18-15-10-21-9-13(15)16(20)19-14-6-5-12(17)8-11(14)4-2/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3,(H,19,20)
InChIKeyKXLHOJMEIJXCFP-UHFFFAOYSA-N
XLogP2.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
2-(3-bromophenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587837
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 102695461
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256350
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735
N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide (CID 81287725) is N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is KXLHOJMEIJXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-7-18-15-10-21-9-13(15)16(20)19-14-6-5-12(17)8-11(14)4-2/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 81287725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).