1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea

C19H28N2O2 — CID 97147839

IUPAC1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
SMILESCC1(CNC(=O)NC[C@H]2CCC[C@H](O)C2)Cc2ccccc2C1
InChIInChI=1S/C19H28N2O2/c1-19(10-15-6-2-3-7-16(15)11-19)13-21-18(23)20-12-14-5-4-8-17(22)9-14/h2-3,6-7,14,17,22H,4-5,8-13H2,1H3,(H2,20,21,23)/t14-,17-/m0/s1
InChIKeyHOXROHPACXZZOK-YOEHRIQHSA-N
MW316.44 g/mol
LogP2.64
Rot. Bonds4

About 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea

1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea (PubChem CID 97147839) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
PubChem CID97147839
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea
SMILESCC1(CNC(=O)NC[C@H]2CCC[C@H](O)C2)Cc2ccccc2C1
InChIInChI=1S/C19H28N2O2/c1-19(10-15-6-2-3-7-16(15)11-19)13-21-18(23)20-12-14-5-4-8-17(22)9-14/h2-3,6-7,14,17,22H,4-5,8-13H2,1H3,(H2,20,21,23)/t14-,17-/m0/s1
InChIKeyHOXROHPACXZZOK-YOEHRIQHSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea with MolForge

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Related Compounds

1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408
1-[(5-ethylthiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504805
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504897
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 75499728
1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504860
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507631
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea?
The IUPAC name of 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea (CID 97147839) is 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea.
What is the SMILES notation for 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea?
The canonical SMILES for 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea is CC1(CNC(=O)NC[C@H]2CCC[C@H](O)C2)Cc2ccccc2C1.
What is the InChIKey of 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea?
The InChIKey is HOXROHPACXZZOK-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(10-15-6-2-3-7-16(15)11-19)13-21-18(23)20-12-14-5-4-8-17(22)9-14/h2-3,6-7,14,17,22H,4-5,8-13H2,1H3,(H2,20,21,23)/t14-,17-/m0/s1.
What are the key properties of 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea?
1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea has a molecular weight of 316.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-3-[(2-methyl-1,3-dihydroinden-2-yl)methyl]urea is sourced from PubChem (CID 97147839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).