N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

C19H25N3O3 — CID 4101198

IUPACN-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)C1C
InChIInChI=1S/C19H25N3O3/c1-12-7-6-9-15(13(12)2)20-17(23)11-22-18(24)14-8-4-5-10-16(14)21(3)19(22)25/h4-5,8,10,12-13,15H,6-7,9,11H2,1-3H3,(H,20,23)
InChIKeyZGAHRPKHFCHCTA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.64
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (PubChem CID 4101198) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
PubChem CID4101198
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
SMILESCC1CCCC(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)C1C
InChIInChI=1S/C19H25N3O3/c1-12-7-6-9-15(13(12)2)20-17(23)11-22-18(24)14-8-4-5-10-16(14)21(3)19(22)25/h4-5,8,10,12-13,15H,6-7,9,11H2,1-3H3,(H,20,23)
InChIKeyZGAHRPKHFCHCTA-UHFFFAOYSA-N
XLogP1.64
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 98766541
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 7328535
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 11897735
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 51258646
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18145024
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
3-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 7041520
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11920990
3-[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2399947

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide (CID 4101198) is N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is CC1CCCC(NC(=O)Cn2c(=O)c3ccccc3n(C)c2=O)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
The InChIKey is ZGAHRPKHFCHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-7-6-9-15(13(12)2)20-17(23)11-22-18(24)14-8-4-5-10-16(14)21(3)19(22)25/h4-5,8,10,12-13,15H,6-7,9,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4101198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).