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

C24H25N5O — CID 54758312

IUPACN,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1
InChIInChI=1S/C24H25N5O/c1-24(2,23(30)25-3)22(29-16-26-15-27-29)18-9-11-20(12-10-18)28-21-13-8-17-6-4-5-7-19(17)14-21/h4-16,22,28H,1-3H3,(H,25,30)
InChIKeyUSSPWQGMEIGGND-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.54
Rot. Bonds6

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

N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 54758312) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID54758312
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1
InChIInChI=1S/C24H25N5O/c1-24(2,23(30)25-3)22(29-16-26-15-27-29)18-9-11-20(12-10-18)28-21-13-8-17-6-4-5-7-19(17)14-21/h4-16,22,28H,1-3H3,(H,25,30)
InChIKeyUSSPWQGMEIGGND-UHFFFAOYSA-N
XLogP4.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 54758312) is N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is CNC(=O)C(C)(C)C(c1ccc(Nc2ccc3ccccc3c2)cc1)n1cncn1.
What is the InChIKey of N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is USSPWQGMEIGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-24(2,23(30)25-3)22(29-16-26-15-27-29)18-9-11-20(12-10-18)28-21-13-8-17-6-4-5-7-19(17)14-21/h4-16,22,28H,1-3H3,(H,25,30).
What are the key properties of N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide?
N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 399.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[4-(naphthalen-2-ylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 54758312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).