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

C15H22N2O3 — CID 115295221

IUPAC4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-3-5-13(19-2)6-4-12)17-14(18)15(16)7-9-20-10-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyBWAOKADBPBGJFE-NSHDSACASA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds4

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

4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide (PubChem CID 115295221) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
PubChem CID115295221
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-3-5-13(19-2)6-4-12)17-14(18)15(16)7-9-20-10-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyBWAOKADBPBGJFE-NSHDSACASA-N
XLogP1.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81368673
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 64891982
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide (CID 115295221) is 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide is COc1ccc([C@H](C)NC(=O)C2(N)CCOCC2)cc1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is BWAOKADBPBGJFE-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-3-5-13(19-2)6-4-12)17-14(18)15(16)7-9-20-10-8-15/h3-6,11H,7-10,16H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide?
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 115295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).