N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide

C17H23ClN2O2 — CID 119615938

IUPACN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
SMILESNCC(NC(=O)C1(c2ccccc2Cl)CCOCC1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-2-1-3-13(14)17(7-9-22-10-8-17)16(21)20-15(11-19)12-5-6-12/h1-4,12,15H,5-11,19H2,(H,20,21)
InChIKeyCRGPCBHEZWSAMA-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.24
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide (PubChem CID 119615938) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
PubChem CID119615938
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide
SMILESNCC(NC(=O)C1(c2ccccc2Cl)CCOCC1)C1CC1
InChIInChI=1S/C17H23ClN2O2/c18-14-4-2-1-3-13(14)17(7-9-22-10-8-17)16(21)20-15(11-19)12-5-6-12/h1-4,12,15H,5-11,19H2,(H,20,21)
InChIKeyCRGPCBHEZWSAMA-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-phenyloxane-4-carboxamide;hydrochloride
CID 119591634
N-(2-amino-1-cyclopropylethyl)-1-(2-methylphenyl)cyclohexane-1-carboxamide
CID 119613947
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
N-(2-amino-1-cyclopropylethyl)-1-phenylcyclopentane-1-carboxamide
CID 119616687
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
4-[[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542025
N-(2-amino-2-methylpropyl)-4-(2-chlorophenyl)oxane-4-carboxamide
CID 119628865
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119589993
4-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)oxane-4-carboxamide
CID 120576461
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide (CID 119615938) is N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide is NCC(NC(=O)C1(c2ccccc2Cl)CCOCC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
The InChIKey is CRGPCBHEZWSAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-4-2-1-3-13(14)17(7-9-22-10-8-17)16(21)20-15(11-19)12-5-6-12/h1-4,12,15H,5-11,19H2,(H,20,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 119615938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).