2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

C15H23N3O3 — CID 76895208

IUPAC2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O3/c1-3-8-17-14(20)10-18(2)15(21)13(16)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyVMSREOMIHQTVDV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.25
Rot. Bonds7

About 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 76895208) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID76895208
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O3/c1-3-8-17-14(20)10-18(2)15(21)13(16)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-10,16H2,1-2H3,(H,17,20)
InChIKeyVMSREOMIHQTVDV-UHFFFAOYSA-N
XLogP0.25
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
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-methyl-N-propylpropanamide
CID 61154503
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
(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
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 103109192

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 76895208) is 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CN(C)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is VMSREOMIHQTVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-8-17-14(20)10-18(2)15(21)13(16)9-11-4-6-12(19)7-5-11/h4-7,13,19H,3,8-10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 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-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 76895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).