2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

C15H23N3O3 — CID 103109192

IUPAC2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-18(3)15(21)10(2)17-14(20)13(16)9-11-5-7-12(19)8-6-11/h5-8,10,13,19H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyMVLHAYAWRLINIL-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 103109192) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
PubChem CID103109192
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H23N3O3/c1-4-18(3)15(21)10(2)17-14(20)13(16)9-11-5-7-12(19)8-6-11/h5-8,10,13,19H,4,9,16H2,1-3H3,(H,17,20)
InChIKeyMVLHAYAWRLINIL-UHFFFAOYSA-N
XLogP0.25
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 10093280
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
(2R)-2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 104905021
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321
2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 19954187

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide (CID 103109192) is 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide is CCN(C)C(=O)C(C)NC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is MVLHAYAWRLINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(3)15(21)10(2)17-14(20)13(16)9-11-5-7-12(19)8-6-11/h5-8,10,13,19H,4,9,16H2,1-3H3,(H,17,20).
What are the key properties of 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide?
2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 103109192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).