N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

C21H24N2O3 — CID 124880687

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESO=C(CN[C@@H]1CCCc2ccc(O)cc21)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-15-9-8-14-4-3-6-18(17(14)12-15)22-13-21(25)23-19-10-11-26-20-7-2-1-5-16(19)20/h1-2,5,7-9,12,18-19,22,24H,3-4,6,10-11,13H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyMHXCJNOHSHSJDC-RTBURBONSA-N
MW352.43 g/mol
LogP3.00
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (PubChem CID 124880687) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
PubChem CID124880687
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
SMILESO=C(CN[C@@H]1CCCc2ccc(O)cc21)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-15-9-8-14-4-3-6-18(17(14)12-15)22-13-21(25)23-19-10-11-26-20-7-2-1-5-16(19)20/h1-2,5,7-9,12,18-19,22,24H,3-4,6,10-11,13H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyMHXCJNOHSHSJDC-RTBURBONSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
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N-(3,4-dihydro-2H-chromen-4-yl)-2-(prop-2-enylamino)acetamide
CID 78912235
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
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3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
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CID 9047848
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
2-[(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51132756
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide (CID 124880687) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is O=C(CN[C@@H]1CCCc2ccc(O)cc21)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
The InChIKey is MHXCJNOHSHSJDC-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-15-9-8-14-4-3-6-18(17(14)12-15)22-13-21(25)23-19-10-11-26-20-7-2-1-5-16(19)20/h1-2,5,7-9,12,18-19,22,24H,3-4,6,10-11,13H2,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 124880687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).