2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

C19H23N3O3 — CID 97127538

IUPAC2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCOCCOCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H23N3O3/c1-24-10-11-25-13-18(23)21-16-8-5-9-17-15(16)12-20-19(22-17)14-6-3-2-4-7-14/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVGUGVZYWUMZZEA-MRXNPFEDSA-N
MW341.41 g/mol
LogP2.30
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (PubChem CID 97127538) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
PubChem CID97127538
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
SMILESCOCCOCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21
InChIInChI=1S/C19H23N3O3/c1-24-10-11-25-13-18(23)21-16-8-5-9-17-15(16)12-20-19(22-17)14-6-3-2-4-7-14/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,21,23)/t16-/m1/s1
InChIKeyVGUGVZYWUMZZEA-MRXNPFEDSA-N
XLogP2.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
2-(2-hydroxyphenoxy)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 72852912
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
CID 45187910
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 45251959
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide (CID 97127538) is 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is COCCOCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)ncc21.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
The InChIKey is VGUGVZYWUMZZEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-10-11-25-13-18(23)21-16-8-5-9-17-15(16)12-20-19(22-17)14-6-3-2-4-7-14/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide?
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide is sourced from PubChem (CID 97127538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).