3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

C19H28N4O6 — CID 175939782

IUPAC3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
SMILESCOc1ccc(C(O)C(NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(N)=O)cc1
InChIInChI=1S/C19H28N4O6/c1-12(21-15(24)11-23-7-9-29-10-8-23)19(27)22-16(18(20)26)17(25)13-3-5-14(28-2)6-4-13/h3-6,12,16-17,25H,7-11H2,1-2H3,(H2,20,26)(H,21,24)(H,22,27)/t12-,16?,17?/m0/s1
InChIKeyYEHCLZHMQRVQBV-CDEQTRAXSA-N
MW408.46 g/mol
LogP-1.46
Rot. Bonds9

About 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide

3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide (PubChem CID 175939782) has the molecular formula C19H28N4O6 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
PubChem CID175939782
Molecular FormulaC19H28N4O6
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC Name3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
SMILESCOc1ccc(C(O)C(NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(N)=O)cc1
InChIInChI=1S/C19H28N4O6/c1-12(21-15(24)11-23-7-9-29-10-8-23)19(27)22-16(18(20)26)17(25)13-3-5-14(28-2)6-4-13/h3-6,12,16-17,25H,7-11H2,1-2H3,(H2,20,26)(H,21,24)(H,22,27)/t12-,16?,17?/m0/s1
InChIKeyYEHCLZHMQRVQBV-CDEQTRAXSA-N
XLogP-1.46
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-hydroxy-3-(4-methoxyphenyl)-2-[2-[(2-morpholin-4-ylacetyl)amino]butanoylamino]propanoate
CID 177001664
methyl (2S,3R)-3-hydroxy-3-[4-(2-methoxyethyl)phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoate
CID 176955953
(2S,3R)-3-hydroxy-3-[4-(2-methoxyacetyl)phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 176956037
(2S,3R)-N-[(2S)-1-(cyclopenten-1-yl)-3-[(2S)-2-methyloxiran-2-yl]propan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
CID 142535225
N-[3-(cyclohexen-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]propanamide
CID 154974145
N-[diphenoxyphosphoryl-(4-methoxyphenyl)methyl]-2-morpholin-4-ylacetamide
CID 3302290
(2S)-N-[(2S,3R)-3,4-dihydroxy-4-methyl-1-phenylpentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
CID 137349446
methyl (2S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoate
CID 59254422
benzyl 2-[2-[(2-morpholin-4-ylacetyl)amino]propanoylamino]acetate;ethane;1-methoxy-4-methylbenzene;propane
CID 144719530
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
(2S,3R)-3-[4-(difluoromethoxy)phenyl]-3-hydroxy-2-[[(3S)-3-methoxy-3-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 176955913
(2S,3R)-N-[(2S)-3-(cyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-(4-cyclopropyloxyphenyl)-3-hydroxy-2-[[(2S)-2-[[2-(1,4-oxazepan-4-yl)acetyl]amino]propanoyl]amino]propanamide
CID 176956023

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide?
The IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide (CID 175939782) is 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide.
What is the SMILES notation for 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide?
The canonical SMILES for 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide is COc1ccc(C(O)C(NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(N)=O)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide?
The InChIKey is YEHCLZHMQRVQBV-CDEQTRAXSA-N. The full InChI is InChI=1S/C19H28N4O6/c1-12(21-15(24)11-23-7-9-29-10-8-23)19(27)22-16(18(20)26)17(25)13-3-5-14(28-2)6-4-13/h3-6,12,16-17,25H,7-11H2,1-2H3,(H2,20,26)(H,21,24)(H,22,27)/t12-,16?,17?/m0/s1.
What are the key properties of 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide?
3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide has a molecular weight of 408.46 g/mol, XLogP of -1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide is sourced from PubChem (CID 175939782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).