N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 120507442

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(10-17)18-14(19)15(5-7-20-8-6-15)12-3-2-4-13(16)9-12;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19);1H/t11-;/m0./s1
InChIKeyFGNNINRTLYFOIO-MERQFXBCSA-N
MW333.26 g/mol
LogP2.27
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120507442) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120507442
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-11(10-17)18-14(19)15(5-7-20-8-6-15)12-3-2-4-13(16)9-12;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19);1H/t11-;/m0./s1
InChIKeyFGNNINRTLYFOIO-MERQFXBCSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 94817943
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 56812614
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
CID 119656558
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 94094208
4-(3-chlorophenyl)-N-pyrrolidin-3-yloxane-4-carboxamide;hydrochloride
CID 119453799
1-(3-chlorophenyl)-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 47167781
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride (CID 120507442) is N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride is C[C@@H](CN)NC(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is FGNNINRTLYFOIO-MERQFXBCSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-11(10-17)18-14(19)15(5-7-20-8-6-15)12-3-2-4-13(16)9-12;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,19);1H/t11-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120507442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).