N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C18H25N3O2 — CID 9287384

IUPACN-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-5-6-9-14(2)20-17(22)12-21-13-19-16-11-8-7-10-15(16)18(21)23/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyVWGLCBGNJALNHR-CQSZACIVSA-N
MW315.42 g/mol
LogP2.87
Rot. Bonds8

About N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 9287384) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID9287384
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H25N3O2/c1-3-4-5-6-9-14(2)20-17(22)12-21-13-19-16-11-8-7-10-15(16)18(21)23/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyVWGLCBGNJALNHR-CQSZACIVSA-N
XLogP2.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-6-methylheptan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287364
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-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
3-[2-(heptan-2-ylamino)ethyl]quinazolin-4-one
CID 62563376
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-(4-oxoquinazolin-3-yl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 60533590
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 9287384) is N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CCCCCC[C@@H](C)NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VWGLCBGNJALNHR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-4-5-6-9-14(2)20-17(22)12-21-13-19-16-11-8-7-10-15(16)18(21)23/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-octan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 9287384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).