N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide

C14H19BrN2O3 — CID 82867796

IUPACN-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C14H19BrN2O3/c1-3-16-12-8-20-7-10(12)14(18)17-9-4-5-11(15)13(6-9)19-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyQWVZJHHUKZZEAE-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.02
Rot. Bonds5

About N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 82867796) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID82867796
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C14H19BrN2O3/c1-3-16-12-8-20-7-10(12)14(18)17-9-4-5-11(15)13(6-9)19-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,18)
InChIKeyQWVZJHHUKZZEAE-UHFFFAOYSA-N
XLogP2.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259800
N-(2-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82756801
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266787
N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107583569
N-(2-bromo-5-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625654
5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
CID 66258924
4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-(5-bromo-2,4-difluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 102853704
N-(3-bromo-2-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107625139
2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
N-[6-(dimethylamino)-3-pyridinyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260021

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 82867796) is N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is QWVZJHHUKZZEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-16-12-8-20-7-10(12)14(18)17-9-4-5-11(15)13(6-9)19-2/h4-6,10,12,16H,3,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 82867796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).