N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide

C20H24N2O2 — CID 790240

IUPACN-[4-[4-(butanoylamino)phenyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-5-19(23)21-17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-20(24)6-4-2/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNRORDPABSMDVKQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.83
Rot. Bonds7

About N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide

N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide (PubChem CID 790240) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(butanoylamino)phenyl]phenyl]butanamide
PubChem CID790240
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[4-[4-(butanoylamino)phenyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-5-19(23)21-17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-20(24)6-4-2/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNRORDPABSMDVKQ-UHFFFAOYSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide?
The IUPAC name of N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide (CID 790240) is N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide?
The canonical SMILES for N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide is CCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCC)cc2)cc1.
What is the InChIKey of N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide?
The InChIKey is NRORDPABSMDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-5-19(23)21-17-11-7-15(8-12-17)16-9-13-18(14-10-16)22-20(24)6-4-2/h7-14H,3-6H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide?
N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide has a molecular weight of 324.42 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(butanoylamino)phenyl]phenyl]butanamide is sourced from PubChem (CID 790240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).