3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide

C25H26N4O — CID 44547331

IUPAC3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C25H26N4O/c1-25(2,24(30)26-3)23(29-15-14-27-17-29)19-9-11-21(12-10-19)28-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,28H,1-3H3,(H,26,30)
InChIKeyCJPBDDWMTPIOHJ-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.14
Rot. Bonds6

About 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide

3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide (PubChem CID 44547331) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
PubChem CID44547331
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C25H26N4O/c1-25(2,24(30)26-3)23(29-15-14-27-17-29)19-9-11-21(12-10-19)28-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,28H,1-3H3,(H,26,30)
InChIKeyCJPBDDWMTPIOHJ-UHFFFAOYSA-N
XLogP5.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The IUPAC name of 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide (CID 44547331) is 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The canonical SMILES for 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide is CNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The InChIKey is CJPBDDWMTPIOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-25(2,24(30)26-3)23(29-15-14-27-17-29)19-9-11-21(12-10-19)28-22-13-8-18-6-4-5-7-20(18)16-22/h4-17,23,28H,1-3H3,(H,26,30).
What are the key properties of 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 44547331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).