N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

C18H24ClN3O2 — CID 119497414

IUPACN-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCC(N)CCNC(=O)CNC(=O)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-13(19)9-10-20-18(23)12-21-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13H,9-12,19H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyHNPRNGWJEWYALJ-UHFFFAOYSA-N
MW349.86 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 119497414) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID119497414
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCC(N)CCNC(=O)CNC(=O)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-13(19)9-10-20-18(23)12-21-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13H,9-12,19H2,1H3,(H,20,23)(H,21,22);1H
InChIKeyHNPRNGWJEWYALJ-UHFFFAOYSA-N
XLogP1.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 120831392
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
N-(3,3-diphenylpropyl)-2-naphthalen-1-ylacetamide
CID 7935580
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119607385
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[2-[3-(tert-butylamino)propylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9089883

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 119497414) is N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is CC(N)CCNC(=O)CNC(=O)Cc1cccc2ccccc12.Cl.
What is the InChIKey of N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is HNPRNGWJEWYALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-13(19)9-10-20-18(23)12-21-17(22)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13H,9-12,19H2,1H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 119497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).