N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide

C20H22N4O2 — CID 51162140

IUPACN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C20H22N4O2/c25-19(13-17-7-3-6-16-5-1-2-8-18(16)17)23-14-20(26)22-9-4-11-24-12-10-21-15-24/h1-3,5-8,10,12,15H,4,9,11,13-14H2,(H,22,26)(H,23,25)
InChIKeyDLEFIUUIZYSJQU-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.90
Rot. Bonds8

About N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 51162140) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID51162140
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(CNC(=O)Cc1cccc2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C20H22N4O2/c25-19(13-17-7-3-6-16-5-1-2-8-18(16)17)23-14-20(26)22-9-4-11-24-12-10-21-15-24/h1-3,5-8,10,12,15H,4,9,11,13-14H2,(H,22,26)(H,23,25)
InChIKeyDLEFIUUIZYSJQU-UHFFFAOYSA-N
XLogP1.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565103
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 84567261
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 51162140) is N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(CNC(=O)Cc1cccc2ccccc12)NCCCn1ccnc1.
What is the InChIKey of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is DLEFIUUIZYSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(13-17-7-3-6-16-5-1-2-8-18(16)17)23-14-20(26)22-9-4-11-24-12-10-21-15-24/h1-3,5-8,10,12,15H,4,9,11,13-14H2,(H,22,26)(H,23,25).
What are the key properties of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 51162140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).