1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea

C18H28N2O3 — CID 124733634

IUPAC1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCc1ccc2c(c1)[C@H](NC(=O)N(C[C@H](C)O)[C@H](C)CO)CCC2
InChIInChI=1S/C18H28N2O3/c1-12-7-8-15-5-4-6-17(16(15)9-12)19-18(23)20(10-14(3)22)13(2)11-21/h7-9,13-14,17,21-22H,4-6,10-11H2,1-3H3,(H,19,23)/t13-,14+,17-/m1/s1
InChIKeyLIJZRPUPOVHXTC-JKIFEVAISA-N
MW320.43 g/mol
LogP2.15
Rot. Bonds5

About 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea

1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea (PubChem CID 124733634) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
PubChem CID124733634
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
SMILESCc1ccc2c(c1)[C@H](NC(=O)N(C[C@H](C)O)[C@H](C)CO)CCC2
InChIInChI=1S/C18H28N2O3/c1-12-7-8-15-5-4-6-17(16(15)9-12)19-18(23)20(10-14(3)22)13(2)11-21/h7-9,13-14,17,21-22H,4-6,10-11H2,1-3H3,(H,19,23)/t13-,14+,17-/m1/s1
InChIKeyLIJZRPUPOVHXTC-JKIFEVAISA-N
XLogP2.15
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea with MolForge

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Related Compounds

(2R)-1-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-2-ol
CID 103906801
3-[(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 115765361
2-methyl-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 113262002
N-[7-(1-hydroxybutyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methylbutanamide
CID 82176212
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
N-cyclopropyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 112696340
1-N,1-N,3-trimethyl-2-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)butane-1,2-diamine
CID 81327422
3-methyl-1-[[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015160
3-methyl-1-[[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122014504
3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pentan-1-ol
CID 81343671
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
3-methyl-2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 114176206

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea (CID 124733634) is 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea is Cc1ccc2c(c1)[C@H](NC(=O)N(C[C@H](C)O)[C@H](C)CO)CCC2.
What is the InChIKey of 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
The InChIKey is LIJZRPUPOVHXTC-JKIFEVAISA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-7-8-15-5-4-6-17(16(15)9-12)19-18(23)20(10-14(3)22)13(2)11-21/h7-9,13-14,17,21-22H,4-6,10-11H2,1-3H3,(H,19,23)/t13-,14+,17-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea?
1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]-3-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 124733634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).