2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide

C25H41N5O4 — CID 163606826

IUPAC2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)C(CC1CC1)C(=O)NC(C#N)CC1CCC(C)(C)NC1=O)C(C)(C)C
InChIInChI=1S/C25H41N5O4/c1-15(31)27-20(24(2,3)4)23(34)30(7)19(12-16-8-9-16)22(33)28-18(14-26)13-17-10-11-25(5,6)29-21(17)32/h16-20H,8-13H2,1-7H3,(H,27,31)(H,28,33)(H,29,32)
InChIKeyHCNAVHRUJCGOPU-UHFFFAOYSA-N
MW475.63 g/mol
LogP1.87
Rot. Bonds9

About 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide

2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide (PubChem CID 163606826) has the molecular formula C25H41N5O4 and a molecular weight of 475.63 g/mol. Its IUPAC name is 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
PubChem CID163606826
Molecular FormulaC25H41N5O4
Molecular Weight475.63 g/mol
Exact Mass475.32
IUPAC Name2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)C(CC1CC1)C(=O)NC(C#N)CC1CCC(C)(C)NC1=O)C(C)(C)C
InChIInChI=1S/C25H41N5O4/c1-15(31)27-20(24(2,3)4)23(34)30(7)19(12-16-8-9-16)22(33)28-18(14-26)13-17-10-11-25(5,6)29-21(17)32/h16-20H,8-13H2,1-7H3,(H,27,31)(H,28,33)(H,29,32)
InChIKeyHCNAVHRUJCGOPU-UHFFFAOYSA-N
XLogP1.87
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide (CID 163606826) is 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide is CC(=O)NC(C(=O)N(C)C(CC1CC1)C(=O)NC(C#N)CC1CCC(C)(C)NC1=O)C(C)(C)C.
What is the InChIKey of 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The InChIKey is HCNAVHRUJCGOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O4/c1-15(31)27-20(24(2,3)4)23(34)30(7)19(12-16-8-9-16)22(33)28-18(14-26)13-17-10-11-25(5,6)29-21(17)32/h16-20H,8-13H2,1-7H3,(H,27,31)(H,28,33)(H,29,32).
What are the key properties of 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide has a molecular weight of 475.63 g/mol, XLogP of 1.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-[[1-cyano-2-(6,6-dimethyl-2-oxopiperidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 163606826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).