N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C21H29N3O2 — CID 9089883

IUPACN-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)NCCCNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHINVMXUFLLXSFD-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.39
Rot. Bonds8

About N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 9089883) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID9089883
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(C)(C)NCCCNC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyHINVMXUFLLXSFD-UHFFFAOYSA-N
XLogP2.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propyl]azanium
CID 9089882
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
2-(tert-butylamino)-N-(naphthalen-1-ylmethyl)acetamide
CID 47185263
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
3-(tert-butylamino)-N-(naphthalen-1-ylmethyl)propanamide
CID 62369453
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 9089883) is N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CC(C)(C)NCCCNC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is HINVMXUFLLXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2,3)24-13-7-12-22-20(26)15-23-19(25)14-17-10-6-9-16-8-4-5-11-18(16)17/h4-6,8-11,24H,7,12-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 355.48 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 9089883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).