2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide

C16H24N2O3 — CID 76951643

IUPAC2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(10-13-3-2-8-21-11-13)16(20)15(17)9-12-4-6-14(19)7-5-12/h4-7,13,15,19H,2-3,8-11,17H2,1H3
InChIKeyMLDPPTSORJJERN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds5

About 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide (PubChem CID 76951643) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
PubChem CID76951643
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide
SMILESCN(CC1CCCOC1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H24N2O3/c1-18(10-13-3-2-8-21-11-13)16(20)15(17)9-12-4-6-14(19)7-5-12/h4-7,13,15,19H,2-3,8-11,17H2,1H3
InChIKeyMLDPPTSORJJERN-UHFFFAOYSA-N
XLogP1.15
TPSA75.79 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 63713122
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 77008821
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 61435851
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide (CID 76951643) is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide is CN(CC1CCCOC1)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide?
The InChIKey is MLDPPTSORJJERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-18(10-13-3-2-8-21-11-13)16(20)15(17)9-12-4-6-14(19)7-5-12/h4-7,13,15,19H,2-3,8-11,17H2,1H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(oxan-3-ylmethyl)propanamide is sourced from PubChem (CID 76951643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).