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

C17H25ClN2O3 — CID 119574427

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NC(C)(CN)C1CC1)CO2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-17(10-18,13-3-4-13)19-16(20)12-7-11-8-14(21-2)5-6-15(11)22-9-12;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyACFQXJYBWSTLSM-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.91
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119574427) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119574427
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CC(C(=O)NC(C)(CN)C1CC1)CO2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-17(10-18,13-3-4-13)19-16(20)12-7-11-8-14(21-2)5-6-15(11)22-9-12;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,20);1H
InChIKeyACFQXJYBWSTLSM-UHFFFAOYSA-N
XLogP1.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 119523565
N-(1-amino-2,4-dimethylpentan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119599140
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119512676
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]-3-methylbutanoic acid
CID 119348268
(3S)-N-[(2,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713329
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
(4-aminopiperidin-1-yl)-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone;hydrochloride
CID 119375217

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 119574427) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is COc1ccc2c(c1)CC(C(=O)NC(C)(CN)C1CC1)CO2.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is ACFQXJYBWSTLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-17(10-18,13-3-4-13)19-16(20)12-7-11-8-14(21-2)5-6-15(11)22-9-12;/h5-6,8,12-13H,3-4,7,9-10,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119574427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).