N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C18H25N3O2 — CID 2121907

IUPACN-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)20-17(23)19-16(22)13-21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9H,10-13H2,1-3H3,(H2,19,20,22,23)
InChIKeyRELXKDCKEXENFG-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.40
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 2121907) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID2121907
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)20-17(23)19-16(22)13-21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9H,10-13H2,1-3H3,(H2,19,20,22,23)
InChIKeyRELXKDCKEXENFG-UHFFFAOYSA-N
XLogP2.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutan-2-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754375
N-(cyclopropylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759239
N-ethyl-2-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]acetamide
CID 8754275
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N'-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]benzohydrazide
CID 8758998
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8759408
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8555153
N-(3,5-dimethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 27194413
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-methylphenyl)acetamide
CID 18125013
dimethyl 5-[[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 8759020
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754329
N-(2-methyl-3-nitrophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 9451916

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 2121907) is N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is RELXKDCKEXENFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)20-17(23)19-16(22)13-21-11-9-15(10-12-21)14-7-5-4-6-8-14/h4-9H,10-13H2,1-3H3,(H2,19,20,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 2121907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).