(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide

C17H26N2O3 — CID 129467980

IUPAC(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
SMILESCO[C@H](CN)CC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3/c1-12-5-7-13(8-6-12)17-15(4-3-9-22-17)19-16(20)10-14(11-18)21-2/h5-8,14-15,17H,3-4,9-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m0/s1
InChIKeyFUNLDHPXJNUWDB-ZOBUZTSGSA-N
MW306.41 g/mol
LogP1.70
Rot. Bonds6

About (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide

(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide (PubChem CID 129467980) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide.

Molecular Properties

Compound Name(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
PubChem CID129467980
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
SMILESCO[C@H](CN)CC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H26N2O3/c1-12-5-7-13(8-6-12)17-15(4-3-9-22-17)19-16(20)10-14(11-18)21-2/h5-8,14-15,17H,3-4,9-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m0/s1
InChIKeyFUNLDHPXJNUWDB-ZOBUZTSGSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide with MolForge

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Related Compounds

2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 120508179
3-amino-3-phenyl-N-(2-phenyloxolan-3-yl)propanamide
CID 119952210
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide?
The IUPAC name of (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide (CID 129467980) is (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide.
What is the SMILES notation for (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide?
The canonical SMILES for (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide is CO[C@H](CN)CC(=O)N[C@H]1CCCO[C@H]1c1ccc(C)cc1.
What is the InChIKey of (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide?
The InChIKey is FUNLDHPXJNUWDB-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-5-7-13(8-6-12)17-15(4-3-9-22-17)19-16(20)10-14(11-18)21-2/h5-8,14-15,17H,3-4,9-11,18H2,1-2H3,(H,19,20)/t14-,15-,17-/m0/s1.
What are the key properties of (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide?
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide is sourced from PubChem (CID 129467980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).