N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide

C20H28N4O3 — CID 119659586

IUPACN-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H28N4O3/c1-15(2)17(21)9-11-22(3)19(26)14-24-18(25)10-12-23(20(24)27)13-16-7-5-4-6-8-16/h4-8,10,12,15,17H,9,11,13-14,21H2,1-3H3
InChIKeyUHYXYBQJJZNTGO-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.89
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 119659586) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID119659586
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H28N4O3/c1-15(2)17(21)9-11-22(3)19(26)14-24-18(25)10-12-23(20(24)27)13-16-7-5-4-6-8-16/h4-8,10,12,15,17H,9,11,13-14,21H2,1-3H3
InChIKeyUHYXYBQJJZNTGO-UHFFFAOYSA-N
XLogP0.89
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119660125
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119659914
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
CID 166223908
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 43033506
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112817041
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-benzylpyrimidine-2,4-dione;hydrochloride
CID 119519138
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9137000
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide (CID 119659586) is N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is UHYXYBQJJZNTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(2)17(21)9-11-22(3)19(26)14-24-18(25)10-12-23(20(24)27)13-16-7-5-4-6-8-16/h4-8,10,12,15,17H,9,11,13-14,21H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 372.47 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 119659586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).