N-benzyl-N-propan-2-ylbenzamide

C17H19NO — CID 668806

IUPACN-benzyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(2)18(13-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyYNCVMXHEJUCNJN-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.74
Rot. Bonds4

About N-benzyl-N-propan-2-ylbenzamide

N-benzyl-N-propan-2-ylbenzamide (PubChem CID 668806) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylbenzamide
PubChem CID668806
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-benzyl-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-14(2)18(13-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyYNCVMXHEJUCNJN-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-N-propan-2-ylbenzamide (CID 668806) is N-benzyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-propan-2-ylbenzamide?
The InChIKey is YNCVMXHEJUCNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(2)18(13-15-9-5-3-6-10-15)17(19)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylbenzamide?
N-benzyl-N-propan-2-ylbenzamide has a molecular weight of 253.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 668806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).