6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

C15H23ClN2O3 — CID 120827730

IUPAC6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16-2)8-17-15(18)12-6-11-7-13(19-3)4-5-14(11)20-9-12;/h4-5,7,10,12,16H,6,8-9H2,1-3H3,(H,17,18);1H
InChIKeyUPWBPBBVCIFBBF-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.39
Rot. Bonds5

About 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride

6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120827730) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120827730
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-10(16-2)8-17-15(18)12-6-11-7-13(19-3)4-5-14(11)20-9-12;/h4-5,7,10,12,16H,6,8-9H2,1-3H3,(H,17,18);1H
InChIKeyUPWBPBBVCIFBBF-UHFFFAOYSA-N
XLogP1.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120652296
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 120652297
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
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
6-methoxy-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119512676
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578255
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 120827730) is 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is CNC(C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl.
What is the InChIKey of 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is UPWBPBBVCIFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-10(16-2)8-17-15(18)12-6-11-7-13(19-3)4-5-14(11)20-9-12;/h4-5,7,10,12,16H,6,8-9H2,1-3H3,(H,17,18);1H.
What are the key properties of 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120827730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).