2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide

C16H24N2O3 — CID 120991542

IUPAC2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
SMILESCOCC(N)C(=O)NC1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3/c1-11-5-7-12(8-6-11)15-14(4-3-9-21-15)18-16(19)13(17)10-20-2/h5-8,13-15H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyVPVUDZKICXTCLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide

2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide (PubChem CID 120991542) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
PubChem CID120991542
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
SMILESCOCC(N)C(=O)NC1CCCOC1c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3/c1-11-5-7-12(8-6-11)15-14(4-3-9-21-15)18-16(19)13(17)10-20-2/h5-8,13-15H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyVPVUDZKICXTCLE-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119818112
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985
2-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 120984521
2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
CID 81082305
2-methyl-3-[[2-(4-methylphenyl)oxan-3-yl]methylamino]-3-oxopropanoic acid
CID 122065691
2-amino-N-(2-cyclohexylcyclopropyl)-3-methoxypropanamide;hydrochloride
CID 120990869

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide (CID 120991542) is 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide is COCC(N)C(=O)NC1CCCOC1c1ccc(C)cc1.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide?
The InChIKey is VPVUDZKICXTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-5-7-12(8-6-11)15-14(4-3-9-21-15)18-16(19)13(17)10-20-2/h5-8,13-15H,3-4,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide?
2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide is sourced from PubChem (CID 120991542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).