N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide

C21H21N3O3 — CID 139011726

IUPACN-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N(CC1CCC1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-19(23(13-15-7-6-8-15)16-9-2-1-3-10-16)14-24-20(26)17-11-4-5-12-18(17)22-21(24)27/h1-5,9-12,15H,6-8,13-14H2,(H,22,27)
InChIKeyCSJLDTDNPZRNHX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds5

About N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide

N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide (PubChem CID 139011726) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide
PubChem CID139011726
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)N(CC1CCC1)c1ccccc1
InChIInChI=1S/C21H21N3O3/c25-19(23(13-15-7-6-8-15)16-9-2-1-3-10-16)14-24-20(26)17-11-4-5-12-18(17)22-21(24)27/h1-5,9-12,15H,6-8,13-14H2,(H,22,27)
InChIKeyCSJLDTDNPZRNHX-UHFFFAOYSA-N
XLogP2.52
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-hydroxycyclohexyl)methyl]-1H-quinazoline-2,4-dione
CID 111466203
1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176148
2-amino-N-(cyclobutylmethyl)-N-phenylacetamide;hydrochloride
CID 119337195
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 138996391
N-(cyclobutylmethyl)-2-(cyclopropylmethylamino)-N-phenylacetamide
CID 119807486
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methoxypropyl)acetamide
CID 122169767
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione
CID 119651055
lithium;4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylic acid;methyl 4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate;hydroxide
CID 158566763
N-(cyclobutylmethyl)-N-phenyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807499
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 119651054

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide (CID 139011726) is N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N(CC1CCC1)c1ccccc1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide?
The InChIKey is CSJLDTDNPZRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(23(13-15-7-6-8-15)16-9-2-1-3-10-16)14-24-20(26)17-11-4-5-12-18(17)22-21(24)27/h1-5,9-12,15H,6-8,13-14H2,(H,22,27).
What are the key properties of N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide?
N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide has a molecular weight of 363.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 139011726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).