N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride

C16H25ClN2O3 — CID 72948200

IUPACN-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCN)O2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)18-8-7-17;/h19H,5-8,17H2,1-4H3,(H,18,20);1H
InChIKeyRTCABDCIZBIAMJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.90
Rot. Bonds3

About N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride

N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride (PubChem CID 72948200) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
PubChem CID72948200
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCN)O2.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)18-8-7-17;/h19H,5-8,17H2,1-4H3,(H,18,20);1H
InChIKeyRTCABDCIZBIAMJ-UHFFFAOYSA-N
XLogP1.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-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

(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 67262914
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563
5-amino-2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]pentanoic acid;hydrochloride
CID 72948569
(2R)-5-amino-2-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 140931004
(2R)-5-amino-2-[[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl]amino]pentanoic acid
CID 129027213
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 134354810
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124752463
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
6-hydroxy-2,5,7,8-tetramethyl-N-[(4-methylthiadiazol-5-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 91782940
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)propan-1-one
CID 145405922

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride (CID 72948200) is N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCN)O2.Cl.
What is the InChIKey of N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride?
The InChIKey is RTCABDCIZBIAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-9-10(2)14-12(11(3)13(9)19)5-6-16(4,21-14)15(20)18-8-7-17;/h19H,5-8,17H2,1-4H3,(H,18,20);1H.
What are the key properties of N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 72948200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).