N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide

C17H20N2O — CID 1122454

IUPACN-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-17(2,3)16(20)19(15-11-7-8-12-18-15)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyBMPCWRYMQKTXDU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.66
Rot. Bonds3

About N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide

N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide (PubChem CID 1122454) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide
PubChem CID1122454
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-17(2,3)16(20)19(15-11-7-8-12-18-15)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyBMPCWRYMQKTXDU-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide (CID 1122454) is N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide is CC(C)(C)C(=O)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide?
The InChIKey is BMPCWRYMQKTXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)16(20)19(15-11-7-8-12-18-15)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide?
N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 1122454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).