N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide

C30H42N2O3 — CID 67545819

IUPACN-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)(C)CNC(C)(C)c1ccc2c(c1)CCC(NC(=O)c1ccc(OCC3CCCO3)cc1)C2
InChIInChI=1S/C30H42N2O3/c1-29(2,3)20-31-30(4,5)24-12-8-23-18-25(13-9-22(23)17-24)32-28(33)21-10-14-26(15-11-21)35-19-27-7-6-16-34-27/h8,10-12,14-15,17,25,27,31H,6-7,9,13,16,18-20H2,1-5H3,(H,32,33)
InChIKeyXBFVIKXXHVPELL-UHFFFAOYSA-N
MW478.68 g/mol
LogP5.40
Rot. Bonds8

About N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide

N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 67545819) has the molecular formula C30H42N2O3 and a molecular weight of 478.68 g/mol. Its IUPAC name is N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID67545819
Molecular FormulaC30H42N2O3
Molecular Weight478.68 g/mol
Exact Mass478.32
IUPAC NameN-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCC(C)(C)CNC(C)(C)c1ccc2c(c1)CCC(NC(=O)c1ccc(OCC3CCCO3)cc1)C2
InChIInChI=1S/C30H42N2O3/c1-29(2,3)20-31-30(4,5)24-12-8-23-18-25(13-9-22(23)17-24)32-28(33)21-10-14-26(15-11-21)35-19-27-7-6-16-34-27/h8,10-12,14-15,17,25,27,31H,6-7,9,13,16,18-20H2,1-5H3,(H,32,33)
InChIKeyXBFVIKXXHVPELL-UHFFFAOYSA-N
XLogP5.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25190242
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25164161
N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505798
N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505996
N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505972
N-[(2S)-6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505992
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-[(3S)-piperidin-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 67546457
N-[(2S)-6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25190355
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-[(2-phenoxyethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 59505861
N-[(2S)-6-[(1R)-1-[bis(cyclopentylmethyl)amino]ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59506030
N-[(2S)-6-[(1-methoxypropan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 163573767
N-[(2S)-6-[[ethyl(2-methoxyethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505907

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide (CID 67545819) is N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide is CC(C)(C)CNC(C)(C)c1ccc2c(c1)CCC(NC(=O)c1ccc(OCC3CCCO3)cc1)C2.
What is the InChIKey of N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is XBFVIKXXHVPELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O3/c1-29(2,3)20-31-30(4,5)24-12-8-23-18-25(13-9-22(23)17-24)32-28(33)21-10-14-26(15-11-21)35-19-27-7-6-16-34-27/h8,10-12,14-15,17,25,27,31H,6-7,9,13,16,18-20H2,1-5H3,(H,32,33).
What are the key properties of N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 478.68 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 67545819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).