1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea

C14H23N3O2 — CID 173411777

IUPAC1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
SMILESCC(O)CNC(C)(C)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(18)9-16-14(2,3)10-15-13(19)17-12-7-5-4-6-8-12/h4-8,11,16,18H,9-10H2,1-3H3,(H2,15,17,19)
InChIKeyLCVQGVLXOIRQFK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea

1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea (PubChem CID 173411777) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
PubChem CID173411777
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea
SMILESCC(O)CNC(C)(C)CNC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O2/c1-11(18)9-16-14(2,3)10-15-13(19)17-12-7-5-4-6-8-12/h4-8,11,16,18H,9-10H2,1-3H3,(H2,15,17,19)
InChIKeyLCVQGVLXOIRQFK-UHFFFAOYSA-N
XLogP1.56
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxypropylamino)-2-methylpropyl]-2-phenylacetamide
CID 173411710
1-[2-(2-hydroxypropylamino)ethyl]-3-phenylurea
CID 104593873
1-(2-chloropropyl)-3-phenylurea
CID 70181020
1-[(2S)-2-hydroxy-2-methylbutyl]-3-phenylurea
CID 94797729
1-(4-amino-2,2-dimethylbutyl)-3-phenylurea
CID 106141235
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropyl]-2-methylpropanamide
CID 22769489
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
1-(5-amino-2,2-dimethylpentyl)-3-phenylurea
CID 114149047
1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine
CID 70475064
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
1-(2-ethylbutyl)-3-phenylurea
CID 54410955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea?
The IUPAC name of 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea (CID 173411777) is 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea?
The canonical SMILES for 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea is CC(O)CNC(C)(C)CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea?
The InChIKey is LCVQGVLXOIRQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(18)9-16-14(2,3)10-15-13(19)17-12-7-5-4-6-8-12/h4-8,11,16,18H,9-10H2,1-3H3,(H2,15,17,19).
What are the key properties of 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea?
1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea has a molecular weight of 265.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropylamino)-2-methylpropyl]-3-phenylurea is sourced from PubChem (CID 173411777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).