N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

C19H20N4O — CID 51092582

IUPACN-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(c1ccc2ccccc2c1)N(C(=O)Cn1cncn1)C1CC1
InChIInChI=1S/C19H20N4O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)23(18-8-9-18)19(24)11-22-13-20-12-21-22/h2-7,10,12-14,18H,8-9,11H2,1H3
InChIKeyMKYABKUHOQABMA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.18
Rot. Bonds5

About N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide

N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51092582) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51092582
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(c1ccc2ccccc2c1)N(C(=O)Cn1cncn1)C1CC1
InChIInChI=1S/C19H20N4O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)23(18-8-9-18)19(24)11-22-13-20-12-21-22/h2-7,10,12-14,18H,8-9,11H2,1H3
InChIKeyMKYABKUHOQABMA-UHFFFAOYSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 51092582) is N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is CC(c1ccc2ccccc2c1)N(C(=O)Cn1cncn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MKYABKUHOQABMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(16-7-6-15-4-2-3-5-17(15)10-16)23(18-8-9-18)19(24)11-22-13-20-12-21-22/h2-7,10,12-14,18H,8-9,11H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-naphthalen-2-ylethyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51092582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).