(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide

C19H28N2O3 — CID 129358774

IUPAC(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide
SMILESCO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1
InChIInChI=1S/C19H28N2O3/c1-19(24-2)10-5-12-21(13-11-19)18(23)20-16-8-3-7-15-14(16)6-4-9-17(15)22/h4,6,9,16,22H,3,5,7-8,10-13H2,1-2H3,(H,20,23)/t16-,19-/m1/s1
InChIKeyUXRNCDYEDMDTGC-VQIMIIECSA-N
MW332.44 g/mol
LogP3.37
Rot. Bonds2

About (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide

(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide (PubChem CID 129358774) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide
PubChem CID129358774
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide
SMILESCO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1
InChIInChI=1S/C19H28N2O3/c1-19(24-2)10-5-12-21(13-11-19)18(23)20-16-8-3-7-15-14(16)6-4-9-17(15)22/h4,6,9,16,22H,3,5,7-8,10-13H2,1-2H3,(H,20,23)/t16-,19-/m1/s1
InChIKeyUXRNCDYEDMDTGC-VQIMIIECSA-N
XLogP3.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122003795
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 127713950
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 136547243
N-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]-4-[(2S)-oxolan-2-yl]piperidine-1-carboxamide
CID 99832022
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
1-[(4-bromo-2,3-dihydro-1H-inden-1-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000501
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 86949745
(2S)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97242801
1-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 138999843
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
ethyl (3S)-3-hydroxy-4-[[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-4-oxobutanoate
CID 124729299

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide?
The IUPAC name of (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide (CID 129358774) is (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide.
What is the SMILES notation for (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide?
The canonical SMILES for (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide is CO[C@]1(C)CCCN(C(=O)N[C@@H]2CCCc3c(O)cccc32)CC1.
What is the InChIKey of (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide?
The InChIKey is UXRNCDYEDMDTGC-VQIMIIECSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(24-2)10-5-12-21(13-11-19)18(23)20-16-8-3-7-15-14(16)6-4-9-17(15)22/h4,6,9,16,22H,3,5,7-8,10-13H2,1-2H3,(H,20,23)/t16-,19-/m1/s1.
What are the key properties of (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide?
(4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methoxy-4-methylazepane-1-carboxamide is sourced from PubChem (CID 129358774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).