3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea

C19H24N2O3 — CID 99828874

IUPAC3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
SMILESC[C@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@H](C)CO
InChIInChI=1S/C19H24N2O3/c1-12(11-22)21(10-13(2)23)19(24)20-17-9-8-15-7-6-14-4-3-5-16(17)18(14)15/h3-5,8-9,12-13,22-23H,6-7,10-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1
InChIKeyRORRRKGQSHBUGK-OLZOCXBDSA-N
MW328.41 g/mol
LogP2.53
Rot. Bonds5

About 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea

3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea (PubChem CID 99828874) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
PubChem CID99828874
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
SMILESC[C@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@H](C)CO
InChIInChI=1S/C19H24N2O3/c1-12(11-22)21(10-13(2)23)19(24)20-17-9-8-15-7-6-14-4-3-5-16(17)18(14)15/h3-5,8-9,12-13,22-23H,6-7,10-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1
InChIKeyRORRRKGQSHBUGK-OLZOCXBDSA-N
XLogP2.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1,2-dihydroacenaphthylen-5-yl)-2-(dimethylamino)-2-phenylacetamide
CID 100565265
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
CID 111121406
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
3-(2,5-dichloro-4-methylphenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea
CID 99829957
1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R)-2-hydroxypropyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 100659359
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121529
1-[(2R)-1-hydroxypropan-2-yl]-1-[(2R)-2-hydroxypropyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 100659373
2-(4-chlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 133211172
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133229238
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,2-dimethylpropanamide
CID 17099764
N-benzyl-2-(1,2-dihydroacenaphthylen-5-ylamino)propanamide
CID 134031739

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The IUPAC name of 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea (CID 99828874) is 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea.
What is the SMILES notation for 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The canonical SMILES for 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea is C[C@H](O)CN(C(=O)Nc1ccc2c3c(cccc13)CC2)[C@H](C)CO.
What is the InChIKey of 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
The InChIKey is RORRRKGQSHBUGK-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(11-22)21(10-13(2)23)19(24)20-17-9-8-15-7-6-14-4-3-5-16(17)18(14)15/h3-5,8-9,12-13,22-23H,6-7,10-11H2,1-2H3,(H,20,24)/t12-,13+/m1/s1.
What are the key properties of 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea?
3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea has a molecular weight of 328.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroacenaphthylen-5-yl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S)-2-hydroxypropyl]urea is sourced from PubChem (CID 99828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).