(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide

C25H32N2O2 — CID 15741729

IUPAC(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide
SMILESCCN(CCCCCN(C(C)=O)C(=O)/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-3-26(21-24-15-9-5-10-16-24)19-11-6-12-20-27(22(2)28)25(29)18-17-23-13-7-4-8-14-23/h4-5,7-10,13-18H,3,6,11-12,19-21H2,1-2H3/b18-17+
InChIKeyCQIAVGJLDKUBKZ-ISLYRVAYSA-N
MW392.54 g/mol
LogP4.77
Rot. Bonds11

About (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide

(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide (PubChem CID 15741729) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide
PubChem CID15741729
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide
SMILESCCN(CCCCCN(C(C)=O)C(=O)/C=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H32N2O2/c1-3-26(21-24-15-9-5-10-16-24)19-11-6-12-20-27(22(2)28)25(29)18-17-23-13-7-4-8-14-23/h4-5,7-10,13-18H,3,6,11-12,19-21H2,1-2H3/b18-17+
InChIKeyCQIAVGJLDKUBKZ-ISLYRVAYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide (CID 15741729) is (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide is CCN(CCCCCN(C(C)=O)C(=O)/C=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide?
The InChIKey is CQIAVGJLDKUBKZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-3-26(21-24-15-9-5-10-16-24)19-11-6-12-20-27(22(2)28)25(29)18-17-23-13-7-4-8-14-23/h4-5,7-10,13-18H,3,6,11-12,19-21H2,1-2H3/b18-17+.
What are the key properties of (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide?
(E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide has a molecular weight of 392.54 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-acetyl-N-[5-[benzyl(ethyl)amino]pentyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 15741729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).