N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide

C15H26N4O2 — CID 8767432

IUPACN-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)17-12(20)8-19(5)9-13(21)18-15(4,10-16)11-6-7-11/h11H,6-9H2,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyPNPWMFBFVGGOJN-OAHLLOKOSA-N
MW294.40 g/mol
LogP0.64
Rot. Bonds6

About N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8767432) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8767432
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1
InChIInChI=1S/C15H26N4O2/c1-14(2,3)17-12(20)8-19(5)9-13(21)18-15(4,10-16)11-6-7-11/h11H,6-9H2,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyPNPWMFBFVGGOJN-OAHLLOKOSA-N
XLogP0.64
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 8767432) is N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(=O)N[C@](C)(C#N)C1CC1.
What is the InChIKey of N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is PNPWMFBFVGGOJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2,3)17-12(20)8-19(5)9-13(21)18-15(4,10-16)11-6-7-11/h11H,6-9H2,1-5H3,(H,17,20)(H,18,21)/t15-/m1/s1.
What are the key properties of N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 294.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8767432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).