4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride

C18H27ClN2O3 — CID 120930354

IUPAC4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
SMILESCCc1cccc2c1OCCC2NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-2-13-4-3-5-14-15(6-9-23-16(13)14)20-17(21)18(12-19)7-10-22-11-8-18;/h3-5,15H,2,6-12,19H2,1H3,(H,20,21);1H
InChIKeyUXJJNMJVVSHZJV-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.37
Rot. Bonds4

About 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120930354) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120930354
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride
SMILESCCc1cccc2c1OCCC2NC(=O)C1(CN)CCOCC1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-2-13-4-3-5-14-15(6-9-23-16(13)14)20-17(21)18(12-19)7-10-22-11-8-18;/h3-5,15H,2,6-12,19H2,1H3,(H,20,21);1H
InChIKeyUXJJNMJVVSHZJV-UHFFFAOYSA-N
XLogP2.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;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

4-(aminomethyl)-N-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]oxane-4-carboxamide;hydrochloride
CID 120936384
4-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120920314
4-(aminomethyl)-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxane-4-carboxamide;hydrochloride
CID 120927437
N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930358
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680
8-ethyl-N-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461392
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
CID 120925257
4-(aminomethyl)-N-[(2-methylphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120919233
N-[3-[2-[(8-ethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421625
1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 146121951

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride (CID 120930354) is 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride is CCc1cccc2c1OCCC2NC(=O)C1(CN)CCOCC1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is UXJJNMJVVSHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-2-13-4-3-5-14-15(6-9-23-16(13)14)20-17(21)18(12-19)7-10-22-11-8-18;/h3-5,15H,2,6-12,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).