(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

C22H34N2O3 — CID 134354810

IUPAC(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN(C)CC1CC1)O2
InChIInChI=1S/C22H34N2O3/c1-14-15(2)20-18(16(3)19(14)25)9-10-22(4,27-20)21(26)23-11-6-12-24(5)13-17-7-8-17/h17,25H,6-13H2,1-5H3,(H,23,26)/t22-/m0/s1
InChIKeyQRPVUQUSNUYYBO-QFIPXVFZSA-N
MW374.53 g/mol
LogP3.25
Rot. Bonds7

About (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide

(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 134354810) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
PubChem CID134354810
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN(C)CC1CC1)O2
InChIInChI=1S/C22H34N2O3/c1-14-15(2)20-18(16(3)19(14)25)9-10-22(4,27-20)21(26)23-11-6-12-24(5)13-17-7-8-17/h17,25H,6-13H2,1-5H3,(H,23,26)/t22-/m0/s1
InChIKeyQRPVUQUSNUYYBO-QFIPXVFZSA-N
XLogP3.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

(2S)-6-hydroxy-N-(2-hydroxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 67262914
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 91837007
1-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethanone
CID 59879197
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(2H-tetrazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124752463
N-[2-[[2-(1-aminoethylideneamino)acetyl]amino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948563
N-[2-[5-(dithiolan-3-yl)pentanoylamino]ethyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 10435297
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 99973607
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124750425
1-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)-2,2-dimethylpropan-1-one
CID 72523898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide (CID 134354810) is (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN(C)CC1CC1)O2.
What is the InChIKey of (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
The InChIKey is QRPVUQUSNUYYBO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-14-15(2)20-18(16(3)19(14)25)9-10-22(4,27-20)21(26)23-11-6-12-24(5)13-17-7-8-17/h17,25H,6-13H2,1-5H3,(H,23,26)/t22-/m0/s1.
What are the key properties of (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide?
(2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[cyclopropylmethyl(methyl)amino]propyl]-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 134354810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).