N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C23H33N5O3 — CID 8680820

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N5O3/c1-4-6-14-28-21(24)20(22(30)25-23(28)31)27(5-2)19(29)15-26(3)18-13-9-11-16-10-7-8-12-17(16)18/h7-8,10,12,18H,4-6,9,11,13-15,24H2,1-3H3,(H,25,30,31)/t18-/m0/s1
InChIKeyHFWDIPMYKKLHQT-SFHVURJKSA-N
MW427.55 g/mol
LogP2.28
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 8680820) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID8680820
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O
InChIInChI=1S/C23H33N5O3/c1-4-6-14-28-21(24)20(22(30)25-23(28)31)27(5-2)19(29)15-26(3)18-13-9-11-16-10-7-8-12-17(16)18/h7-8,10,12,18H,4-6,9,11,13-15,24H2,1-3H3,(H,25,30,31)/t18-/m0/s1
InChIKeyHFWDIPMYKKLHQT-SFHVURJKSA-N
XLogP2.28
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 8680820) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is CCCCn1c(N)c(N(CC)C(=O)CN(C)[C@H]2CCCc3ccccc32)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is HFWDIPMYKKLHQT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-4-6-14-28-21(24)20(22(30)25-23(28)31)27(5-2)19(29)15-26(3)18-13-9-11-16-10-7-8-12-17(16)18/h7-8,10,12,18H,4-6,9,11,13-15,24H2,1-3H3,(H,25,30,31)/t18-/m0/s1.
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 8680820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).