5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide

C19H22N2O2 — CID 169298098

IUPAC5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide
SMILESNCCCc1ccc(O)c(C(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c20-11-3-4-13-7-10-18(22)16(12-13)19(23)21-17-9-8-14-5-1-2-6-15(14)17/h1-2,5-7,10,12,17,22H,3-4,8-9,11,20H2,(H,21,23)
InChIKeyZXGLPHHGIPMVRO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds5

About 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide

5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide (PubChem CID 169298098) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide
PubChem CID169298098
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide
SMILESNCCCc1ccc(O)c(C(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c20-11-3-4-13-7-10-18(22)16(12-13)19(23)21-17-9-8-14-5-1-2-6-15(14)17/h1-2,5-7,10,12,17,22H,3-4,8-9,11,20H2,(H,21,23)
InChIKeyZXGLPHHGIPMVRO-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
1-N-(2-aminoethyl)-1-N'-(2,3-dihydro-1H-inden-1-yl)ethene-1,1-diamine
CID 157035852
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
2-(3-aminopropoxy)-4-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125171601
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide?
The IUPAC name of 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide (CID 169298098) is 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide is NCCCc1ccc(O)c(C(=O)NC2CCc3ccccc32)c1.
What is the InChIKey of 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide?
The InChIKey is ZXGLPHHGIPMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-11-3-4-13-7-10-18(22)16(12-13)19(23)21-17-9-8-14-5-1-2-6-15(14)17/h1-2,5-7,10,12,17,22H,3-4,8-9,11,20H2,(H,21,23).
What are the key properties of 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide?
5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide is sourced from PubChem (CID 169298098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).