2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

C20H33N5O4 — CID 169168004

IUPAC2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C20H33N5O4/c1-4-24-19(28)17(15(26)11-23(13(2)3)12-16(21)27)18(22)25(20(24)29)10-14-8-6-5-7-9-14/h13-14H,4-12,22H2,1-3H3,(H2,21,27)
InChIKeyLBBWMSMKCSZXGY-UHFFFAOYSA-N
MW407.52 g/mol
LogP0.57
Rot. Bonds9

About 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 169168004) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID169168004
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Name2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(CC2CCCCC2)c1=O
InChIInChI=1S/C20H33N5O4/c1-4-24-19(28)17(15(26)11-23(13(2)3)12-16(21)27)18(22)25(20(24)29)10-14-8-6-5-7-9-14/h13-14H,4-12,22H2,1-3H3,(H2,21,27)
InChIKeyLBBWMSMKCSZXGY-UHFFFAOYSA-N
XLogP0.57
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 169168004) is 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is CCn1c(=O)c(C(=O)CN(CC(N)=O)C(C)C)c(N)n(CC2CCCCC2)c1=O.
What is the InChIKey of 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is LBBWMSMKCSZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-4-24-19(28)17(15(26)11-23(13(2)3)12-16(21)27)18(22)25(20(24)29)10-14-8-6-5-7-9-14/h13-14H,4-12,22H2,1-3H3,(H2,21,27).
What are the key properties of 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 407.52 g/mol, XLogP of 0.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 169168004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).