N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C30H40N2O3 — CID 59505996

IUPACN-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC1(CNCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cc2)C3)CCCC1
InChIInChI=1S/C30H40N2O3/c1-30(14-2-3-15-30)21-31-19-22-6-7-25-18-26(11-8-24(25)17-22)32-29(33)23-9-12-27(13-10-23)35-20-28-5-4-16-34-28/h6-7,9-10,12-13,17,26,28,31H,2-5,8,11,14-16,18-21H2,1H3,(H,32,33)/t26-,28-/m0/s1
InChIKeyYYKWXRFRJWBGIQ-XCZPVHLTSA-N
MW476.66 g/mol
LogP5.20
Rot. Bonds9

About N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 59505996) has the molecular formula C30H40N2O3 and a molecular weight of 476.66 g/mol. Its IUPAC name is N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
PubChem CID59505996
Molecular FormulaC30H40N2O3
Molecular Weight476.66 g/mol
Exact Mass476.30
IUPAC NameN-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SMILESCC1(CNCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cc2)C3)CCCC1
InChIInChI=1S/C30H40N2O3/c1-30(14-2-3-15-30)21-31-19-22-6-7-25-18-26(11-8-24(25)17-22)32-29(33)23-9-12-27(13-10-23)35-20-28-5-4-16-34-28/h6-7,9-10,12-13,17,26,28,31H,2-5,8,11,14-16,18-21H2,1H3,(H,32,33)/t26-,28-/m0/s1
InChIKeyYYKWXRFRJWBGIQ-XCZPVHLTSA-N
XLogP5.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-[[(2S)-oxolan-2-yl]methoxy]pyridine-2-carboxamide
CID 59505776
N-[(2S)-6-[(2-hydroxypropylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505972
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-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505992
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-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505862
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-(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
N-[(2S)-6-[[ethyl(2-methoxyethyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505907
N-[6-[2-(2,2-dimethylpropylamino)propan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(oxolan-2-ylmethoxy)benzamide
CID 67545819
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 59505996) is N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CC1(CNCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cc2)C3)CCCC1.
What is the InChIKey of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is YYKWXRFRJWBGIQ-XCZPVHLTSA-N. The full InChI is InChI=1S/C30H40N2O3/c1-30(14-2-3-15-30)21-31-19-22-6-7-25-18-26(11-8-24(25)17-22)32-29(33)23-9-12-27(13-10-23)35-20-28-5-4-16-34-28/h6-7,9-10,12-13,17,26,28,31H,2-5,8,11,14-16,18-21H2,1H3,(H,32,33)/t26-,28-/m0/s1.
What are the key properties of N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?
N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 476.66 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-6-[[(1-methylcyclopentyl)methylamino]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 59505996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).