2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

C16H17N3O3 — CID 60593466

IUPAC2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-11(20)17-9-15(21)18-10-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXIFNWEGAKBCPTM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.03
Rot. Bonds5

About 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (PubChem CID 60593466) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
PubChem CID60593466
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)NCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3O3/c1-11(20)17-9-15(21)18-10-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyXIFNWEGAKBCPTM-UHFFFAOYSA-N
XLogP1.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167890403
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167898478
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
4-(3-acetylphenoxy)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 60621848
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (CID 60593466) is 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is CC(=O)NCC(=O)NCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The InChIKey is XIFNWEGAKBCPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(20)17-9-15(21)18-10-16(22)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 60593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).