[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone

C25H35NO — CID 139607341

IUPAC[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
SMILESCCCCN(CCCC)C(CCC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H35NO/c1-4-7-19-26(20-8-5-2)24(14-6-3)22-17-12-13-18-23(22)25(27)21-15-10-9-11-16-21/h9-13,15-18,24H,4-8,14,19-20H2,1-3H3
InChIKeyZQBISTRDZCTCKI-UHFFFAOYSA-N
MW365.56 g/mol
LogP6.66
Rot. Bonds12

About [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone

[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone (PubChem CID 139607341) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
PubChem CID139607341
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
SMILESCCCCN(CCCC)C(CCC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C25H35NO/c1-4-7-19-26(20-8-5-2)24(14-6-3)22-17-12-13-18-23(22)25(27)21-15-10-9-11-16-21/h9-13,15-18,24H,4-8,14,19-20H2,1-3H3
InChIKeyZQBISTRDZCTCKI-UHFFFAOYSA-N
XLogP6.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone (CID 139607341) is [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone is CCCCN(CCCC)C(CCC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone?
The InChIKey is ZQBISTRDZCTCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-4-7-19-26(20-8-5-2)24(14-6-3)22-17-12-13-18-23(22)25(27)21-15-10-9-11-16-21/h9-13,15-18,24H,4-8,14,19-20H2,1-3H3.
What are the key properties of [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone?
[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone has a molecular weight of 365.56 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone is sourced from PubChem (CID 139607341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).