2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide

C14H21N3O3 — CID 76893468

IUPAC2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H21N3O3/c1-16(2)13(19)9-17(3)14(20)12(15)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9,15H2,1-3H3
InChIKeySKJZSBSHEQGXQA-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.19
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide

2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 76893468) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID76893468
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(C)C(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C14H21N3O3/c1-16(2)13(19)9-17(3)14(20)12(15)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9,15H2,1-3H3
InChIKeySKJZSBSHEQGXQA-UHFFFAOYSA-N
XLogP-0.19
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 76895208
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2R)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905331
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 79379558
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 76893468) is 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(C)C(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is SKJZSBSHEQGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(2)13(19)9-17(3)14(20)12(15)8-10-4-6-11(18)7-5-10/h4-7,12,18H,8-9,15H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 279.34 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 76893468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).