2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide

C14H21N3O2 — CID 115545500

IUPAC2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CCCC2)c1N
InChIInChI=1S/C14H21N3O2/c15-13-11(14(16)19)6-3-7-12(13)17(8-9-18)10-4-1-2-5-10/h3,6-7,10,18H,1-2,4-5,8-9,15H2,(H2,16,19)
InChIKeyLJXWGSPCHJKILF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds5

About 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide

2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide (PubChem CID 115545500) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
PubChem CID115545500
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide
SMILESNC(=O)c1cccc(N(CCO)C2CCCC2)c1N
InChIInChI=1S/C14H21N3O2/c15-13-11(14(16)19)6-3-7-12(13)17(8-9-18)10-4-1-2-5-10/h3,6-7,10,18H,1-2,4-5,8-9,15H2,(H2,16,19)
InChIKeyLJXWGSPCHJKILF-UHFFFAOYSA-N
XLogP1.11
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[cyclobutyl(2-hydroxyethyl)amino]benzamide
CID 102868412
2-amino-3-[cyclopropyl(2-hydroxyethyl)amino]benzamide
CID 115545488
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzamide
CID 115546593
2-amino-3-[2-cyanoethyl(cyclopropyl)amino]benzamide
CID 113332800
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 104716539
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-[cyclobutyl(2-hydroxyethyl)amino]benzoic acid
CID 102863255
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324
2-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 62230361
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-(2-amino-N-cyclopropyl-3-methylsulfonylanilino)ethanol
CID 82002580
ethyl 3-amino-2-[cyclopentyl(2-hydroxyethyl)amino]benzoate
CID 115934585

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide?
The IUPAC name of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide (CID 115545500) is 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide is NC(=O)c1cccc(N(CCO)C2CCCC2)c1N.
What is the InChIKey of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide?
The InChIKey is LJXWGSPCHJKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-13-11(14(16)19)6-3-7-12(13)17(8-9-18)10-4-1-2-5-10/h3,6-7,10,18H,1-2,4-5,8-9,15H2,(H2,16,19).
What are the key properties of 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide?
2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[cyclopentyl(2-hydroxyethyl)amino]benzamide is sourced from PubChem (CID 115545500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).