N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide

C17H25NO2 — CID 91914992

IUPACN-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide
SMILESCN(CC1CCOCC1)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-18(14-16-10-12-20-13-11-16)17(19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyPALPSFROTMJIOT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.89
Rot. Bonds6

About N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide

N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide (PubChem CID 91914992) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide
PubChem CID91914992
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide
SMILESCN(CC1CCOCC1)C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-18(14-16-10-12-20-13-11-16)17(19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3
InChIKeyPALPSFROTMJIOT-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide (CID 91914992) is N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide is CN(CC1CCOCC1)C(=O)CCCc1ccccc1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide?
The InChIKey is PALPSFROTMJIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(14-16-10-12-20-13-11-16)17(19)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide?
N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide has a molecular weight of 275.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-4-phenylbutanamide is sourced from PubChem (CID 91914992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).