3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide

C19H23N3O2 — CID 43045588

IUPAC3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C19H23N3O2/c1-13(16-10-5-6-11-20-16)21-17(23)14-8-7-9-15(12-14)22-18(24)19(2,3)4/h5-13H,1-4H3,(H,21,23)(H,22,24)
InChIKeyUMQSCZFFHMMRQM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.56
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 43045588) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID43045588
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C19H23N3O2/c1-13(16-10-5-6-11-20-16)21-17(23)14-8-7-9-15(12-14)22-18(24)19(2,3)4/h5-13H,1-4H3,(H,21,23)(H,22,24)
InChIKeyUMQSCZFFHMMRQM-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide (CID 43045588) is 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccccn1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is UMQSCZFFHMMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(16-10-5-6-11-20-16)21-17(23)14-8-7-9-15(12-14)22-18(24)19(2,3)4/h5-13H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 325.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 43045588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).