1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea

C19H26N2O2 — CID 99792986

IUPAC1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NC[C@@H]1CC[C@H](O)C1)N[C@@H]1C[C@H]2CCCc3cccc1c32
InChIInChI=1S/C19H26N2O2/c22-15-8-7-12(9-15)11-20-19(23)21-17-10-14-5-1-3-13-4-2-6-16(17)18(13)14/h2,4,6,12,14-15,17,22H,1,3,5,7-11H2,(H2,20,21,23)/t12-,14-,15+,17-/m1/s1
InChIKeyKGSNLGDDDSXTSN-JJAZEVLHSA-N
MW314.43 g/mol
LogP3.01
Rot. Bonds3

About 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea

1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea (PubChem CID 99792986) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
PubChem CID99792986
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
SMILESO=C(NC[C@@H]1CC[C@H](O)C1)N[C@@H]1C[C@H]2CCCc3cccc1c32
InChIInChI=1S/C19H26N2O2/c22-15-8-7-12(9-15)11-20-19(23)21-17-10-14-5-1-3-13-4-2-6-16(17)18(13)14/h2,4,6,12,14-15,17,22H,1,3,5,7-11H2,(H2,20,21,23)/t12-,14-,15+,17-/m1/s1
InChIKeyKGSNLGDDDSXTSN-JJAZEVLHSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea with MolForge

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Related Compounds

1-(1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024207
2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280483
N-[(3-hydroxycyclopentyl)methyl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 106120154
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60583700
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-[(3-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111470364
1-[(3-hydroxycyclopentyl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 102562629
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
CID 97147839
1-[[(1R,3S)-3-hydroxycyclopentyl]methyl]-3-[(1S,3R)-3-methoxycyclohexyl]urea
CID 100688174

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The IUPAC name of 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea (CID 99792986) is 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea.
What is the SMILES notation for 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The canonical SMILES for 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea is O=C(NC[C@@H]1CC[C@H](O)C1)N[C@@H]1C[C@H]2CCCc3cccc1c32.
What is the InChIKey of 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
The InChIKey is KGSNLGDDDSXTSN-JJAZEVLHSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-15-8-7-12(9-15)11-20-19(23)21-17-10-14-5-1-3-13-4-2-6-16(17)18(13)14/h2,4,6,12,14-15,17,22H,1,3,5,7-11H2,(H2,20,21,23)/t12-,14-,15+,17-/m1/s1.
What are the key properties of 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea?
1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea has a molecular weight of 314.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea is sourced from PubChem (CID 99792986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).