2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide

C19H22N4O4 — CID 95893803

IUPAC2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)Cc1cccc(O)c1)NCc1ccncn1
InChIInChI=1S/C19H22N4O4/c24-17-3-1-2-14(8-17)9-19(26)23-6-7-27-12-16(23)10-18(25)21-11-15-4-5-20-13-22-15/h1-5,8,13,16,24H,6-7,9-12H2,(H,21,25)/t16-/m1/s1
InChIKeyHHAYDLZHRXMSQS-MRXNPFEDSA-N
MW370.41 g/mol
LogP0.66
Rot. Bonds6

About 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide

2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide (PubChem CID 95893803) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
PubChem CID95893803
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1COCCN1C(=O)Cc1cccc(O)c1)NCc1ccncn1
InChIInChI=1S/C19H22N4O4/c24-17-3-1-2-14(8-17)9-19(26)23-6-7-27-12-16(23)10-18(25)21-11-15-4-5-20-13-22-15/h1-5,8,13,16,24H,6-7,9-12H2,(H,21,25)/t16-/m1/s1
InChIKeyHHAYDLZHRXMSQS-MRXNPFEDSA-N
XLogP0.66
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
CID 95891518
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-(3-methoxyphenyl)-1-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 124990339
2-(3-methoxyphenyl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 124990338
2-[(3S)-4-[(2-amino-3-pyridinyl)methyl]morpholin-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95862444
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
3-morpholin-4-ylsulfonyl-N-(pyrimidin-4-ylmethyl)benzamide
CID 77097656
(3R,6aS,8S,10aS)-3-hydroxy-8-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658720

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide (CID 95893803) is 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide is O=C(C[C@@H]1COCCN1C(=O)Cc1cccc(O)c1)NCc1ccncn1.
What is the InChIKey of 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
The InChIKey is HHAYDLZHRXMSQS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17-3-1-2-14(8-17)9-19(26)23-6-7-27-12-16(23)10-18(25)21-11-15-4-5-20-13-22-15/h1-5,8,13,16,24H,6-7,9-12H2,(H,21,25)/t16-/m1/s1.
What are the key properties of 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?
2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[2-(3-hydroxyphenyl)acetyl]morpholin-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide is sourced from PubChem (CID 95893803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).