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

C16H25ClN2O3 — CID 120652296

IUPACN-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13;/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19);1H/t11-,13?;/m1./s1
InChIKeyPYPRTJKFFQCPND-ZRMPQGGQSA-N
MW328.84 g/mol
LogP1.78
Rot. Bonds6

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

N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 120652296) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
PubChem CID120652296
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13;/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19);1H/t11-,13?;/m1./s1
InChIKeyPYPRTJKFFQCPND-ZRMPQGGQSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.78
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
CID 120652297
6-methoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120827730
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120651056
6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
6-ethoxy-N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 120831058
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-(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 N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride (CID 120652296) is N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1COc2ccc(OC)cc2C1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is PYPRTJKFFQCPND-ZRMPQGGQSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-4-17-11(2)9-18-16(19)13-7-12-8-14(20-3)5-6-15(12)21-10-13;/h5-6,8,11,13,17H,4,7,9-10H2,1-3H3,(H,18,19);1H/t11-,13?;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120652296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).