(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide

C19H23N3O3 — CID 99928629

IUPAC(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
SMILESCOc1ccc([C@H](O)C(=O)NCc2nc(C)c3c(n2)CCCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-12-15-5-3-4-6-16(15)22-17(21-12)11-20-19(24)18(23)13-7-9-14(25-2)10-8-13/h7-10,18,23H,3-6,11H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyAAFRHISIVKLBCW-SFHVURJKSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds5

About (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide

(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide (PubChem CID 99928629) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
PubChem CID99928629
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
SMILESCOc1ccc([C@H](O)C(=O)NCc2nc(C)c3c(n2)CCCC3)cc1
InChIInChI=1S/C19H23N3O3/c1-12-15-5-3-4-6-16(15)22-17(21-12)11-20-19(24)18(23)13-7-9-14(25-2)10-8-13/h7-10,18,23H,3-6,11H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyAAFRHISIVKLBCW-SFHVURJKSA-N
XLogP2.02
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 99928628
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 77085781
2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91780378
(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444984
1-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]urea
CID 126441632
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
CID 56739994
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
(1S,3R,4R)-3-amino-4-hydroxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155937997
N-(4-methoxyphenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 967721
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
CID 50981206
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The IUPAC name of (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide (CID 99928629) is (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The canonical SMILES for (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide is COc1ccc([C@H](O)C(=O)NCc2nc(C)c3c(n2)CCCC3)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
The InChIKey is AAFRHISIVKLBCW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-15-5-3-4-6-16(15)22-17(21-12)11-20-19(24)18(23)13-7-9-14(25-2)10-8-13/h7-10,18,23H,3-6,11H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide?
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(4-methoxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 99928629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).