(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol

C18H28N2O2 — CID 119052552

IUPAC(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC(C)CC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2O2/c1-13(19-10-14(21)12-22-4)9-18(2,3)16-11-20-17-8-6-5-7-15(16)17/h5-8,11,13-14,19-21H,9-10,12H2,1-4H3/t13?,14-/m1/s1
InChIKeyGRHZXVNRQAUTOT-ARLHGKGLSA-N
MW304.43 g/mol
LogP2.82
Rot. Bonds8

About (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol

(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol (PubChem CID 119052552) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol
PubChem CID119052552
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CNC(C)CC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2O2/c1-13(19-10-14(21)12-22-4)9-18(2,3)16-11-20-17-8-6-5-7-15(16)17/h5-8,11,13-14,19-21H,9-10,12H2,1-4H3/t13?,14-/m1/s1
InChIKeyGRHZXVNRQAUTOT-ARLHGKGLSA-N
XLogP2.82
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol with MolForge

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Related Compounds

cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine
CID 124724954
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
9-hydroxy-10-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 69230337
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
(2R)-2-(1H-indol-3-yl)-2-methoxypropanamide
CID 141348863
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol (CID 119052552) is (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol is COC[C@H](O)CNC(C)CC(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol?
The InChIKey is GRHZXVNRQAUTOT-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(19-10-14(21)12-22-4)9-18(2,3)16-11-20-17-8-6-5-7-15(16)17/h5-8,11,13-14,19-21H,9-10,12H2,1-4H3/t13?,14-/m1/s1.
What are the key properties of (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol?
(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 119052552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).