N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide

C20H21N3O2 — CID 9297441

IUPACN-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H21N3O2/c1-3-17(15-10-8-14(2)9-11-15)22-19(24)12-23-13-21-18-7-5-4-6-16(18)20(23)25/h4-11,13,17H,3,12H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyNOLXOJKEVKPNCO-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.97
Rot. Bonds5

About N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9297441) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9297441
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H21N3O2/c1-3-17(15-10-8-14(2)9-11-15)22-19(24)12-23-13-21-18-7-5-4-6-16(18)20(23)25/h4-11,13,17H,3,12H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyNOLXOJKEVKPNCO-KRWDZBQOSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43009851
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97124356
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46653428
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287384
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9297441) is N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide is CC[C@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NOLXOJKEVKPNCO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-17(15-10-8-14(2)9-11-15)22-19(24)12-23-13-21-18-7-5-4-6-16(18)20(23)25/h4-11,13,17H,3,12H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9297441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).