N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119599140

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NC(C)(CN)CC(C)C)CO2.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12(2)9-18(3,11-19)20-17(21)14-7-13-8-15(22-4)5-6-16(13)23-10-14;/h5-6,8,12,14H,7,9-11,19H2,1-4H3,(H,20,21);1H
InChIKeyIOEICFFFUBPXKX-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.55
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119599140) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119599140
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NC(C)(CN)CC(C)C)CO2.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-12(2)9-18(3,11-19)20-17(21)14-7-13-8-15(22-4)5-6-16(13)23-10-14;/h5-6,8,12,14H,7,9-11,19H2,1-4H3,(H,20,21);1H
InChIKeyIOEICFFFUBPXKX-UHFFFAOYSA-N
XLogP2.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 119599140) is N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)CC(C(=O)NC(C)(CN)CC(C)C)CO2.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is IOEICFFFUBPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-12(2)9-18(3,11-19)20-17(21)14-7-13-8-15(22-4)5-6-16(13)23-10-14;/h5-6,8,12,14H,7,9-11,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119599140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).