N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide

C21H25N3O2 — CID 120604447

IUPACN-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C21H25N3O2/c22-12-13-23-21(26)18-10-3-4-11-19(18)24-20(25)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-4,6,9-11,16H,5,7-8,12-14,22H2,(H,23,26)(H,24,25)
InChIKeyMPSUESFJNSZBKR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds6

About N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide

N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide (PubChem CID 120604447) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
PubChem CID120604447
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C21H25N3O2/c22-12-13-23-21(26)18-10-3-4-11-19(18)24-20(25)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-4,6,9-11,16H,5,7-8,12-14,22H2,(H,23,26)(H,24,25)
InChIKeyMPSUESFJNSZBKR-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]benzoate
CID 86955196
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
CID 97260269
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
N-[2-(2-aminoethylcarbamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 120604023
N-(2-aminoethyl)-2-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120603377
N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119618623
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
N-(2-aminoethyl)-2-[(2-methylcyclopentanecarbonyl)amino]benzamide
CID 107181192

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide (CID 120604447) is N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide is NCCNC(=O)c1ccccc1NC(=O)CC1CCCc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide?
The InChIKey is MPSUESFJNSZBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-12-13-23-21(26)18-10-3-4-11-19(18)24-20(25)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-4,6,9-11,16H,5,7-8,12-14,22H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide?
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 120604447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).