1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea

C15H26N2O2S — CID 111507839

IUPAC1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
SMILESCCC(C)C(O)CNC(=O)NCC(C)Cc1cccs1
InChIInChI=1S/C15H26N2O2S/c1-4-12(3)14(18)10-17-15(19)16-9-11(2)8-13-6-5-7-20-13/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H2,16,17,19)
InChIKeyGTHPYKJMFHNHAB-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.63
Rot. Bonds8

About 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea

1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea (PubChem CID 111507839) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
PubChem CID111507839
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea
SMILESCCC(C)C(O)CNC(=O)NCC(C)Cc1cccs1
InChIInChI=1S/C15H26N2O2S/c1-4-12(3)14(18)10-17-15(19)16-9-11(2)8-13-6-5-7-20-13/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H2,16,17,19)
InChIKeyGTHPYKJMFHNHAB-UHFFFAOYSA-N
XLogP2.63
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 71990557
3-amino-2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)butanamide;hydrochloride
CID 120501636
1-ethyl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673325
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507828
1-butan-2-yl-2-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111492237
2-[(1-thiophen-2-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65226264
4-(aminomethyl)-N-(2-methyl-3-thiophen-2-ylpropyl)benzamide
CID 119335347
2-[[(3-ethoxypropylamino)-[(2-methyl-3-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111517320
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
1-[(3R)-1-methyl-6-oxopiperidin-3-yl]-3-[(2S)-2-methyl-3-thiophen-2-ylpropyl]urea
CID 97020397
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea (CID 111507839) is 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea is CCC(C)C(O)CNC(=O)NCC(C)Cc1cccs1.
What is the InChIKey of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea?
The InChIKey is GTHPYKJMFHNHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-12(3)14(18)10-17-15(19)16-9-11(2)8-13-6-5-7-20-13/h5-7,11-12,14,18H,4,8-10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea?
1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea has a molecular weight of 298.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylpentyl)-3-(2-methyl-3-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111507839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).