3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide

C18H23N3O3 — CID 25394121

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,22)(H,20,23,24)/t12-,14-/m0/s1
InChIKeyWACIXMXEBVEAPU-JSGCOSHPSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds4

About 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide (PubChem CID 25394121) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
PubChem CID25394121
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H23N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,22)(H,20,23,24)/t12-,14-/m0/s1
InChIKeyWACIXMXEBVEAPU-JSGCOSHPSA-N
XLogP1.77
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18145024
N-[(1S,2S)-2-methylcyclohexyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7023942
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-(2-amino-1-cyclopropylethyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 119615038
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]propanamide
CID 96529621
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60515754
3-(2,4-dioxoquinazolin-1-yl)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98954680
3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
3-(2,4-dioxoquinazolin-1-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 42408672

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide (CID 25394121) is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide is C[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
The InChIKey is WACIXMXEBVEAPU-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,19,22)(H,20,23,24)/t12-,14-/m0/s1.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 25394121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).