N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide

C16H23ClN2O2 — CID 119628865

IUPACN-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
SMILESCC(C)(N)CNC(=O)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,18)11-19-14(20)16(7-9-21-10-8-16)12-5-3-4-6-13(12)17/h3-6H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyMHAKXUFQBHRJIE-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.24
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide

N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide (PubChem CID 119628865) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
PubChem CID119628865
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
SMILESCC(C)(N)CNC(=O)C1(c2ccccc2Cl)CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-15(2,18)11-19-14(20)16(7-9-21-10-8-16)12-5-3-4-6-13(12)17/h3-6H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyMHAKXUFQBHRJIE-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
4-(2-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]oxane-4-carboxamide
CID 86897624
2-[2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242729
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119615938
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
N-[3-(butanoylamino)phenyl]-4-(2-chlorophenyl)oxane-4-carboxamide
CID 86897484
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440
4-(2-chlorophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxane-4-carboxamide
CID 86897366
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide
CID 90623808

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide (CID 119628865) is N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide is CC(C)(N)CNC(=O)C1(c2ccccc2Cl)CCOCC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The InChIKey is MHAKXUFQBHRJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2,18)11-19-14(20)16(7-9-21-10-8-16)12-5-3-4-6-13(12)17/h3-6H,7-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 119628865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).