2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide

C22H36N2O3 — CID 66674337

IUPAC2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
SMILESCCCCCC(NC1[C@H](OC)Cc2ccc(O)cc2C1(CC)CC)C(N)=O
InChIInChI=1S/C22H36N2O3/c1-5-8-9-10-18(21(23)26)24-20-19(27-4)13-15-11-12-16(25)14-17(15)22(20,6-2)7-3/h11-12,14,18-20,24-25H,5-10,13H2,1-4H3,(H2,23,26)/t18?,19-,20?/m1/s1
InChIKeyRMWLFCDLHHLHNB-IOJLRTSASA-N
MW376.54 g/mol
LogP3.41
Rot. Bonds10

About 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide

2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide (PubChem CID 66674337) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide.

Molecular Properties

Compound Name2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
PubChem CID66674337
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide
SMILESCCCCCC(NC1[C@H](OC)Cc2ccc(O)cc2C1(CC)CC)C(N)=O
InChIInChI=1S/C22H36N2O3/c1-5-8-9-10-18(21(23)26)24-20-19(27-4)13-15-11-12-16(25)14-17(15)22(20,6-2)7-3/h11-12,14,18-20,24-25H,5-10,13H2,1-4H3,(H2,23,26)/t18?,19-,20?/m1/s1
InChIKeyRMWLFCDLHHLHNB-IOJLRTSASA-N
XLogP3.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[[(2S,3S)-7-carbamoyl-1,1-diethyl-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]ethyl]hexanoic acid
CID 42633460
cyclohexylmethyl 4-[[(2S,3S)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]butanoate
CID 42633464
(6S,7S)-8,8-diethyl-6-methoxy-7-[2-(methylamino)ethylamino]-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905611
7-amino-8,8-diethyl-6-propan-2-yloxy-6,7-dihydro-5H-naphthalen-2-ol;hydrochloride
CID 173208290
(6S,7S)-7-(3-aminopropylamino)-6-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carboxamide
CID 66905027
2-(cyclohexylamino)octanamide
CID 54893908
(6S,7S)-7-amino-8,8-diethyl-6-(2-phenoxyethoxy)-6,7-dihydro-5H-naphthalen-2-ol
CID 57221306
3-[[(2S,3S)-3-amino-4,4-diethyl-6-hydroxy-2,3-dihydro-1H-naphthalen-2-yl]sulfanyl]propanoic acid
CID 18343367
2-anilinoheptanamide
CID 61005049
2-(propylamino)octanamide
CID 60795649
2-(tridecylamino)octanamide
CID 154123950
2-(propylamino)nonanamide
CID 60796532

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide?
The IUPAC name of 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide (CID 66674337) is 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide.
What is the SMILES notation for 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide?
The canonical SMILES for 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide is CCCCCC(NC1[C@H](OC)Cc2ccc(O)cc2C1(CC)CC)C(N)=O.
What is the InChIKey of 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide?
The InChIKey is RMWLFCDLHHLHNB-IOJLRTSASA-N. The full InChI is InChI=1S/C22H36N2O3/c1-5-8-9-10-18(21(23)26)24-20-19(27-4)13-15-11-12-16(25)14-17(15)22(20,6-2)7-3/h11-12,14,18-20,24-25H,5-10,13H2,1-4H3,(H2,23,26)/t18?,19-,20?/m1/s1.
What are the key properties of 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide?
2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide has a molecular weight of 376.54 g/mol, XLogP of 3.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3R)-1,1-diethyl-7-hydroxy-3-methoxy-3,4-dihydro-2H-naphthalen-2-yl]amino]heptanamide is sourced from PubChem (CID 66674337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).