N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide

C15H21BrN2O2 — CID 66258296

IUPACN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3
InChIKeyDSZQJIIFGULPAZ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.03
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide

N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide (PubChem CID 66258296) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
PubChem CID66258296
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3
InChIKeyDSZQJIIFGULPAZ-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
N-[(3,4-difluorophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66257909
N-[(5-bromothiophen-3-yl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258717
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
4-(ethylamino)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-3-carboxamide
CID 66258931
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426
4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
N-(3,5-dimethylphenyl)-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66260067
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267002

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide (CID 66258296) is N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide is CCNC1COCC1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
The InChIKey is DSZQJIIFGULPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-3-17-14-10-20-9-13(14)15(19)18(2)8-11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide?
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 66258296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).