4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide

C19H23N3O3 — CID 45108015

IUPAC4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
SMILESCC(CCn1ccc(=O)[nH]c1=O)C(=O)N(C)C1(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c1-14(8-12-22-13-9-16(23)20-18(22)25)17(24)21(2)19(10-11-19)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,20,23,25)
InChIKeyCVOGALRWHSCWQX-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.71
Rot. Bonds6

About 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide

4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide (PubChem CID 45108015) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
PubChem CID45108015
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide
SMILESCC(CCn1ccc(=O)[nH]c1=O)C(=O)N(C)C1(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3/c1-14(8-12-22-13-9-16(23)20-18(22)25)17(24)21(2)19(10-11-19)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,20,23,25)
InChIKeyCVOGALRWHSCWQX-UHFFFAOYSA-N
XLogP1.71
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 1-propan-2-yloxycyclopentane-1-carboxylate
CID 172580602
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
CID 44544654
2-(2,4-dioxopyrimidin-1-yl)ethyl benzoate
CID 151246005
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
[(2S)-2-acetyloxy-4-(2,4-dioxopyrimidin-1-yl)butyl] acetate
CID 70894812
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The IUPAC name of 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide (CID 45108015) is 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide.
What is the SMILES notation for 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The canonical SMILES for 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide is CC(CCn1ccc(=O)[nH]c1=O)C(=O)N(C)C1(c2ccccc2)CC1.
What is the InChIKey of 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
The InChIKey is CVOGALRWHSCWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14(8-12-22-13-9-16(23)20-18(22)25)17(24)21(2)19(10-11-19)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-12H2,1-2H3,(H,20,23,25).
What are the key properties of 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide?
4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide has a molecular weight of 341.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxopyrimidin-1-yl)-N,2-dimethyl-N-(1-phenylcyclopropyl)butanamide is sourced from PubChem (CID 45108015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).