N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide

C20H37N3O2 — CID 142558099

IUPACN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
SMILESC=C(C[C@H](NC(=O)CCC(C)(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C20H37N3O2/c1-7-21-19(25)17(22-18(24)11-12-20(4,5)6)14-16(3)23-13-9-8-10-15(23)2/h15,17H,3,7-14H2,1-2,4-6H3,(H,21,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyHYZDCVODAPNFEK-RDJZCZTQSA-N
MW351.54 g/mol
LogP3.21
Rot. Bonds8

About N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide

N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide (PubChem CID 142558099) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
PubChem CID142558099
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide
SMILESC=C(C[C@H](NC(=O)CCC(C)(C)C)C(=O)NCC)N1CCCC[C@@H]1C
InChIInChI=1S/C20H37N3O2/c1-7-21-19(25)17(22-18(24)11-12-20(4,5)6)14-16(3)23-13-9-8-10-15(23)2/h15,17H,3,7-14H2,1-2,4-6H3,(H,21,25)(H,22,24)/t15-,17-/m0/s1
InChIKeyHYZDCVODAPNFEK-RDJZCZTQSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide?
The IUPAC name of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide (CID 142558099) is N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide is C=C(C[C@H](NC(=O)CCC(C)(C)C)C(=O)NCC)N1CCCC[C@@H]1C.
What is the InChIKey of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide?
The InChIKey is HYZDCVODAPNFEK-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-7-21-19(25)17(22-18(24)11-12-20(4,5)6)14-16(3)23-13-9-8-10-15(23)2/h15,17H,3,7-14H2,1-2,4-6H3,(H,21,25)(H,22,24)/t15-,17-/m0/s1.
What are the key properties of N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide?
N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide has a molecular weight of 351.54 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(ethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1-oxopent-4-en-2-yl]-4,4-dimethylpentanamide is sourced from PubChem (CID 142558099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).