3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide

C17H23N3O2 — CID 110712301

IUPAC3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
SMILESCn1c(CCNC(=O)CC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-17(2,3)11-15(21)18-10-9-14-19-13-8-6-5-7-12(13)16(22)20(14)4/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyUHIGNJANNRWRNI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.03
Rot. Bonds4

About 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide (PubChem CID 110712301) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
PubChem CID110712301
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
SMILESCn1c(CCNC(=O)CC(C)(C)C)nc2ccccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-17(2,3)11-15(21)18-10-9-14-19-13-8-6-5-7-12(13)16(22)20(14)4/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyUHIGNJANNRWRNI-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110741916
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933282
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide (CID 110712301) is 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide is Cn1c(CCNC(=O)CC(C)(C)C)nc2ccccc2c1=O.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide?
The InChIKey is UHIGNJANNRWRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)11-15(21)18-10-9-14-19-13-8-6-5-7-12(13)16(22)20(14)4/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide is sourced from PubChem (CID 110712301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).