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

C24H24N4O — CID 44547187

IUPAC3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
SMILESCC(C)(C(N)=O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C24H24N4O/c1-24(2,23(25)29)22(28-14-13-26-16-28)18-8-10-20(11-9-18)27-21-12-7-17-5-3-4-6-19(17)15-21/h3-16,22,27H,1-2H3,(H2,25,29)
InChIKeyDHADYTVQZADBKR-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.88
Rot. Bonds6

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

3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide (PubChem CID 44547187) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
PubChem CID44547187
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
SMILESCC(C)(C(N)=O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1
InChIInChI=1S/C24H24N4O/c1-24(2,23(25)29)22(28-14-13-26-16-28)18-8-10-20(11-9-18)27-21-12-7-17-5-3-4-6-19(17)15-21/h3-16,22,27H,1-2H3,(H2,25,29)
InChIKeyDHADYTVQZADBKR-UHFFFAOYSA-N
XLogP4.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.88
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-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The IUPAC name of 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide (CID 44547187) is 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide.
What is the SMILES notation for 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The canonical SMILES for 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide is CC(C)(C(N)=O)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
The InChIKey is DHADYTVQZADBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,23(25)29)22(28-14-13-26-16-28)18-8-10-20(11-9-18)27-21-12-7-17-5-3-4-6-19(17)15-21/h3-16,22,27H,1-2H3,(H2,25,29).
What are the key properties of 3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide?
3-imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.88, 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-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide is sourced from PubChem (CID 44547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).