N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide

C15H22N2O2 — CID 91902584

IUPACN-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
SMILESCNC(=O)CCCN(C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-12(2)17(11-7-10-14(18)16-3)15(19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,18)
InChIKeyBHDIIJNFYKPVLL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.06
Rot. Bonds6

About N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide

N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide (PubChem CID 91902584) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
PubChem CID91902584
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide
SMILESCNC(=O)CCCN(C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-12(2)17(11-7-10-14(18)16-3)15(19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,18)
InChIKeyBHDIIJNFYKPVLL-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide (CID 91902584) is N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide is CNC(=O)CCCN(C(=O)c1ccccc1)C(C)C.
What is the InChIKey of N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide?
The InChIKey is BHDIIJNFYKPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)17(11-7-10-14(18)16-3)15(19)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide?
N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)-4-oxobutyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 91902584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).