1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea

C16H25N3O2 — CID 96541637

IUPAC1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESC[C@@H](CNc1ccccc1)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(11-17-13-5-3-2-4-6-13)18-16(21)19-14-7-9-15(20)10-8-14/h2-6,12,14-15,17,20H,7-11H2,1H3,(H2,18,19,21)/t12-,14?,15?/m0/s1
InChIKeyPZRPGNSIIJUWQN-GRTSSRMGSA-N
MW291.39 g/mol
LogP2.09
Rot. Bonds5

About 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea

1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 96541637) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
PubChem CID96541637
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESC[C@@H](CNc1ccccc1)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(11-17-13-5-3-2-4-6-13)18-16(21)19-14-7-9-15(20)10-8-14/h2-6,12,14-15,17,20H,7-11H2,1H3,(H2,18,19,21)/t12-,14?,15?/m0/s1
InChIKeyPZRPGNSIIJUWQN-GRTSSRMGSA-N
XLogP2.09
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea with MolForge

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Related Compounds

2-N-cyclopropyl-1-N-phenylpropane-1,2-diamine
CID 62568312
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
1-(4-hydroxycyclohexyl)-3-[(2R)-4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 94650228
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
CID 57280852
1-cyclohexyl-3-[(2S)-1-phenoxypropan-2-yl]urea
CID 94192179
1-butan-2-yl-3-cyclopropylurea
CID 45366532
1-cyclopropyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 62950697
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006512
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)butanoic acid
CID 107843016

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea (CID 96541637) is 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea is C[C@@H](CNc1ccccc1)NC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is PZRPGNSIIJUWQN-GRTSSRMGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(11-17-13-5-3-2-4-6-13)18-16(21)19-14-7-9-15(20)10-8-14/h2-6,12,14-15,17,20H,7-11H2,1H3,(H2,18,19,21)/t12-,14?,15?/m0/s1.
What are the key properties of 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 291.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 96541637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).