N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide

C23H26N2O2 — CID 126432121

IUPACN-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-c2ccc(C(=O)N3CC=C(C)CC3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-12-14-25(15-13-16)23(27)22-10-8-21(9-11-22)20-6-4-19(5-7-20)17(2)24-18(3)26/h4-12,17H,13-15H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKLZVOMFOXCWISS-KRWDZBQOSA-N
MW362.47 g/mol
LogP4.34
Rot. Bonds4

About N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide (PubChem CID 126432121) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide
PubChem CID126432121
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(-c2ccc(C(=O)N3CC=C(C)CC3)cc2)cc1
InChIInChI=1S/C23H26N2O2/c1-16-12-14-25(15-13-16)23(27)22-10-8-21(9-11-22)20-6-4-19(5-7-20)17(2)24-18(3)26/h4-12,17H,13-15H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyKLZVOMFOXCWISS-KRWDZBQOSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide (CID 126432121) is N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(-c2ccc(C(=O)N3CC=C(C)CC3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide?
The InChIKey is KLZVOMFOXCWISS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-12-14-25(15-13-16)23(27)22-10-8-21(9-11-22)20-6-4-19(5-7-20)17(2)24-18(3)26/h4-12,17H,13-15H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 126432121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).