(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide

C38H50N4O4 — CID 143188195

IUPAC(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide
SMILESC/C(=C\C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccc(C)cc1)C(=O)N1CCC(O)CC1)CC(C)(C)N
InChIInChI=1S/C38H50N4O4/c1-26-11-13-28(14-12-26)23-34(37(46)42-19-17-32(43)18-20-42)41(6)36(45)33(40(5)35(44)21-27(2)25-38(3,4)39)24-29-15-16-30-9-7-8-10-31(30)22-29/h7-16,21-22,32-34,43H,17-20,23-25,39H2,1-6H3/b27-21+/t33-,34-/m1/s1
InChIKeyYFIDRSPGYNPAGR-FCRFVNJISA-N
MW626.84 g/mol
LogP4.64
Rot. Bonds11

About (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide

(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide (PubChem CID 143188195) has the molecular formula C38H50N4O4 and a molecular weight of 626.84 g/mol. Its IUPAC name is (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide
PubChem CID143188195
Molecular FormulaC38H50N4O4
Molecular Weight626.84 g/mol
Exact Mass626.38
IUPAC Name(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide
SMILESC/C(=C\C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccc(C)cc1)C(=O)N1CCC(O)CC1)CC(C)(C)N
InChIInChI=1S/C38H50N4O4/c1-26-11-13-28(14-12-26)23-34(37(46)42-19-17-32(43)18-20-42)41(6)36(45)33(40(5)35(44)21-27(2)25-38(3,4)39)24-29-15-16-30-9-7-8-10-31(30)22-29/h7-16,21-22,32-34,43H,17-20,23-25,39H2,1-6H3/b27-21+/t33-,34-/m1/s1
InChIKeyYFIDRSPGYNPAGR-FCRFVNJISA-N
XLogP4.64
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide?
The IUPAC name of (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide (CID 143188195) is (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide.
What is the SMILES notation for (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide?
The canonical SMILES for (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide is C/C(=C\C(=O)N(C)[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccc(C)cc1)C(=O)N1CCC(O)CC1)CC(C)(C)N.
What is the InChIKey of (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide?
The InChIKey is YFIDRSPGYNPAGR-FCRFVNJISA-N. The full InChI is InChI=1S/C38H50N4O4/c1-26-11-13-28(14-12-26)23-34(37(46)42-19-17-32(43)18-20-42)41(6)36(45)33(40(5)35(44)21-27(2)25-38(3,4)39)24-29-15-16-30-9-7-8-10-31(30)22-29/h7-16,21-22,32-34,43H,17-20,23-25,39H2,1-6H3/b27-21+/t33-,34-/m1/s1.
What are the key properties of (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide?
(E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide has a molecular weight of 626.84 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-N-[(2R)-1-[[(2R)-1-(4-hydroxypiperidin-1-yl)-3-(4-methylphenyl)-1-oxopropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,3,5-trimethylhex-2-enamide is sourced from PubChem (CID 143188195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).