N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide

C21H21N3O2 — CID 175711089

IUPACN-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide
SMILESCc1ccc(N)cc1NC(=O)C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-13-10-11-16(22)12-19(13)24-21(26)20(25)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRSZNEHMEGWEKQM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.55
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide

N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide (PubChem CID 175711089) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide
PubChem CID175711089
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide
SMILESCc1ccc(N)cc1NC(=O)C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H21N3O2/c1-13-10-11-16(22)12-19(13)24-21(26)20(25)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,22H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRSZNEHMEGWEKQM-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide (CID 175711089) is N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide is Cc1ccc(N)cc1NC(=O)C(=O)NC(C)c1cccc2ccccc12.
What is the InChIKey of N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide?
The InChIKey is RSZNEHMEGWEKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-10-11-16(22)12-19(13)24-21(26)20(25)23-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,22H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide?
N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide has a molecular weight of 347.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-N'-(1-naphthalen-1-ylethyl)oxamide is sourced from PubChem (CID 175711089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).