2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide

C12H18N2O3 — CID 106308242

IUPAC2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1ccccc1C(=O)NCCCOCCO
InChIInChI=1S/C12H18N2O3/c13-11-5-2-1-4-10(11)12(16)14-6-3-8-17-9-7-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16)
InChIKeyIGBFFTMEGPSGQG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.40
Rot. Bonds7

About 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide

2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide (PubChem CID 106308242) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
PubChem CID106308242
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1ccccc1C(=O)NCCCOCCO
InChIInChI=1S/C12H18N2O3/c13-11-5-2-1-4-10(11)12(16)14-6-3-8-17-9-7-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16)
InChIKeyIGBFFTMEGPSGQG-UHFFFAOYSA-N
XLogP0.40
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
2-amino-3-chloro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308339
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2,5-dibromo-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 104920678
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
2-amino-N-dodecylbenzamide
CID 54099396
3-amino-2-chloro-N-(3-ethoxypropyl)benzamide
CID 112574223
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The IUPAC name of 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide (CID 106308242) is 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide is Nc1ccccc1C(=O)NCCCOCCO.
What is the InChIKey of 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The InChIKey is IGBFFTMEGPSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-11-5-2-1-4-10(11)12(16)14-6-3-8-17-9-7-15/h1-2,4-5,15H,3,6-9,13H2,(H,14,16).
What are the key properties of 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide?
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide is sourced from PubChem (CID 106308242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).