4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride

C19H30ClN3O3 — CID 119620022

IUPAC4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O3.ClH/c20-19(24)15-7-9-17(10-8-15)25-14-11-18(23)22-13-12-21-16-5-3-1-2-4-6-16;/h7-10,16,21H,1-6,11-14H2,(H2,20,24)(H,22,23);1H
InChIKeyCGZLQYFXYLSNLH-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.40
Rot. Bonds9

About 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride

4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride (PubChem CID 119620022) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
PubChem CID119620022
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(OCCC(=O)NCCNC2CCCCCC2)cc1
InChIInChI=1S/C19H29N3O3.ClH/c20-19(24)15-7-9-17(10-8-15)25-14-11-18(23)22-13-12-21-16-5-3-1-2-4-6-16;/h7-10,16,21H,1-6,11-14H2,(H2,20,24)(H,22,23);1H
InChIKeyCGZLQYFXYLSNLH-UHFFFAOYSA-N
XLogP2.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
4-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 119590176
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600
N-[2-(cycloheptylamino)ethyl]-4-(3-methoxypropoxy)benzamide
CID 119620313
4-[3-[(4-aminocyclohexyl)amino]-3-oxopropoxy]benzamide
CID 119476133
N-[2-(cycloheptylamino)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 119620648
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
N-[2-(cycloheptylamino)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119620500
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-[2-(cycloheptylamino)ethyl]-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119620592

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The IUPAC name of 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride (CID 119620022) is 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride is Cl.NC(=O)c1ccc(OCCC(=O)NCCNC2CCCCCC2)cc1.
What is the InChIKey of 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
The InChIKey is CGZLQYFXYLSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c20-19(24)15-7-9-17(10-8-15)25-14-11-18(23)22-13-12-21-16-5-3-1-2-4-6-16;/h7-10,16,21H,1-6,11-14H2,(H2,20,24)(H,22,23);1H.
What are the key properties of 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride?
4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(cycloheptylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride is sourced from PubChem (CID 119620022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).