4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide

C14H19ClN2O2 — CID 115295227

IUPAC4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-3-2-4-12(15)9-11)17-13(18)14(16)5-7-19-8-6-14/h2-4,9-10H,5-8,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyZMQSQHAWMNJJDZ-JTQLQIEISA-N
MW282.77 g/mol
LogP2.03
Rot. Bonds3

About 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide

4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide (PubChem CID 115295227) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
PubChem CID115295227
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
SMILESC[C@H](NC(=O)C1(N)CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-10(11-3-2-4-12(15)9-11)17-13(18)14(16)5-7-19-8-6-14/h2-4,9-10H,5-8,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyZMQSQHAWMNJJDZ-JTQLQIEISA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]oxane-4-carboxamide
CID 113280622

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide (CID 115295227) is 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide is C[C@H](NC(=O)C1(N)CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
The InChIKey is ZMQSQHAWMNJJDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(11-3-2-4-12(15)9-11)17-13(18)14(16)5-7-19-8-6-14/h2-4,9-10H,5-8,16H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide?
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115295227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).