7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride

C19H31ClN2O3 — CID 119747593

IUPAC7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H30N2O3.ClH/c20-13-7-2-1-3-12-19(22)21-17-10-4-5-11-18(17)24-15-16-9-6-8-14-23-16;/h4-5,10-11,16H,1-3,6-9,12-15,20H2,(H,21,22);1H
InChIKeyKJXVAXDHWSBZNA-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.90
Rot. Bonds10

About 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride

7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride (PubChem CID 119747593) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
PubChem CID119747593
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C19H30N2O3.ClH/c20-13-7-2-1-3-12-19(22)21-17-10-4-5-11-18(17)24-15-16-9-6-8-14-23-16;/h4-5,10-11,16H,1-3,6-9,12-15,20H2,(H,21,22);1H
InChIKeyKJXVAXDHWSBZNA-UHFFFAOYSA-N
XLogP3.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
7-amino-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]heptanamide
CID 119743232
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
(2S,5R)-5-(aminomethyl)-N-[2-(oxan-2-ylmethoxy)phenyl]oxolane-2-carboxamide
CID 120789636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119747615
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
1-hexyl-3-[2-(oxan-2-ylmethoxy)phenyl]urea
CID 60577155

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride (CID 119747593) is 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride?
The InChIKey is KJXVAXDHWSBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c20-13-7-2-1-3-12-19(22)21-17-10-4-5-11-18(17)24-15-16-9-6-8-14-23-16;/h4-5,10-11,16H,1-3,6-9,12-15,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride?
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119747593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).