N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide

C22H25N3O2 — CID 9287316

IUPACN-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc([C@@H](NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-16-9-11-17(12-10-16)21(15(2)3)24-20(26)13-25-14-23-19-8-6-5-7-18(19)22(25)27/h5-12,14-15,21H,4,13H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyKFOKGXNVSUGIJH-NRFANRHFSA-N
MW363.46 g/mol
LogP3.47
Rot. Bonds6

About N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9287316) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9287316
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCc1ccc([C@@H](NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-16-9-11-17(12-10-16)21(15(2)3)24-20(26)13-25-14-23-19-8-6-5-7-18(19)22(25)27/h5-12,14-15,21H,4,13H2,1-3H3,(H,24,26)/t21-/m0/s1
InChIKeyKFOKGXNVSUGIJH-NRFANRHFSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-(2-methyl-1-phenylpropyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 51286317
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9287316) is N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide is CCc1ccc([C@@H](NC(=O)Cn2cnc3ccccc3c2=O)C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is KFOKGXNVSUGIJH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-16-9-11-17(12-10-16)21(15(2)3)24-20(26)13-25-14-23-19-8-6-5-7-18(19)22(25)27/h5-12,14-15,21H,4,13H2,1-3H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9287316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).