3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide

C22H22N2O3 — CID 27899305

IUPAC3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c23-21(25)12-13-24(15-17-6-2-1-3-7-17)22(26)16-27-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H2,23,25)
InChIKeyXMQOMELGEHZFFX-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.12
Rot. Bonds8

About 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide

3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide (PubChem CID 27899305) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
PubChem CID27899305
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c23-21(25)12-13-24(15-17-6-2-1-3-7-17)22(26)16-27-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H2,23,25)
InChIKeyXMQOMELGEHZFFX-UHFFFAOYSA-N
XLogP3.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
3-[benzyl-[2-[(6-oxo-8,9,10,11-tetrahydro-7H-cyclohepta[c]chromen-3-yl)oxy]acetyl]amino]propanamide
CID 154859716
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
3-[[2-(4-chloro-3-methylphenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 54789970
3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
CID 28642354
N,N-bis(2-methoxyethyl)-2-naphthalen-2-yloxyacetamide
CID 78763769
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
CID 80633118
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide?
The IUPAC name of 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide (CID 27899305) is 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide.
What is the SMILES notation for 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide?
The canonical SMILES for 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide?
The InChIKey is XMQOMELGEHZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c23-21(25)12-13-24(15-17-6-2-1-3-7-17)22(26)16-27-20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14H,12-13,15-16H2,(H2,23,25).
What are the key properties of 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide?
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide has a molecular weight of 362.43 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide is sourced from PubChem (CID 27899305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).