(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide

C25H32N2O2 — CID 7321311

IUPAC(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C25H32N2O2/c1-17(2)19-11-13-21(14-12-19)26-24(28)15-18(3)16-25(29)27-23-10-6-8-20-7-4-5-9-22(20)23/h4-5,7,9,11-14,17-18,23H,6,8,10,15-16H2,1-3H3,(H,26,28)(H,27,29)/t18-,23-/m0/s1
InChIKeyKIVBPZDMMSGICO-MBSDFSHPSA-N
MW392.54 g/mol
LogP5.36
Rot. Bonds7

About (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide

(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide (PubChem CID 7321311) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
PubChem CID7321311
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
SMILESCC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C25H32N2O2/c1-17(2)19-11-13-21(14-12-19)26-24(28)15-18(3)16-25(29)27-23-10-6-8-20-7-4-5-9-22(20)23/h4-5,7,9,11-14,17-18,23H,6,8,10,15-16H2,1-3H3,(H,26,28)(H,27,29)/t18-,23-/m0/s1
InChIKeyKIVBPZDMMSGICO-MBSDFSHPSA-N
XLogP5.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(4-propan-2-ylphenyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanediamide
CID 5137610
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2523881
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-propan-2-ylbenzoate
CID 2505318
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide?
The IUPAC name of (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide (CID 7321311) is (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide.
What is the SMILES notation for (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide?
The canonical SMILES for (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide is CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide?
The InChIKey is KIVBPZDMMSGICO-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-17(2)19-11-13-21(14-12-19)26-24(28)15-18(3)16-25(29)27-23-10-6-8-20-7-4-5-9-22(20)23/h4-5,7,9,11-14,17-18,23H,6,8,10,15-16H2,1-3H3,(H,26,28)(H,27,29)/t18-,23-/m0/s1.
What are the key properties of (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide?
(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide has a molecular weight of 392.54 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide is sourced from PubChem (CID 7321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).