N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide

C23H23N3O3 — CID 75415105

IUPACN'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-21(27)25-19-9-6-10-20(14-19)26-23(29)22(28)24-15(2)17-12-11-16-7-4-5-8-18(16)13-17/h4-15H,3H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAKJOETSUJNBSIX-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.00
Rot. Bonds5

About N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide

N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide (PubChem CID 75415105) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide
PubChem CID75415105
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(=O)NC(C)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-21(27)25-19-9-6-10-20(14-19)26-23(29)22(28)24-15(2)17-12-11-16-7-4-5-8-18(16)13-17/h4-15H,3H2,1-2H3,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAKJOETSUJNBSIX-UHFFFAOYSA-N
XLogP4.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]azanium
CID 9168756
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
CID 42989119
N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
2-(2,6-dichlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7899735
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255

Frequently Asked Questions

What is the IUPAC name of N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide?
The IUPAC name of N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide (CID 75415105) is N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide.
What is the SMILES notation for N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide?
The canonical SMILES for N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide is CCC(=O)Nc1cccc(NC(=O)C(=O)NC(C)c2ccc3ccccc3c2)c1.
What is the InChIKey of N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide?
The InChIKey is AKJOETSUJNBSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-21(27)25-19-9-6-10-20(14-19)26-23(29)22(28)24-15(2)17-12-11-16-7-4-5-8-18(16)13-17/h4-15H,3H2,1-2H3,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide?
N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide has a molecular weight of 389.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-naphthalen-2-ylethyl)-N-[3-(propanoylamino)phenyl]oxamide is sourced from PubChem (CID 75415105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).