1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea

C19H25N3O3 — CID 94813696

IUPAC1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
SMILESCN(C)C[C@H](O)COc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3/c1-22(2)13-17(23)14-25-18-10-8-16(9-11-18)21-19(24)20-12-15-6-4-3-5-7-15/h3-11,17,23H,12-14H2,1-2H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyPAFPMUATDZUZKK-KRWDZBQOSA-N
MW343.43 g/mol
LogP2.31
Rot. Bonds8

About 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea

1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea (PubChem CID 94813696) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
PubChem CID94813696
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
SMILESCN(C)C[C@H](O)COc1ccc(NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O3/c1-22(2)13-17(23)14-25-18-10-8-16(9-11-18)21-19(24)20-12-15-6-4-3-5-7-15/h3-11,17,23H,12-14H2,1-2H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyPAFPMUATDZUZKK-KRWDZBQOSA-N
XLogP2.31
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
CID 47085454
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-(dimethylamino)-3-[4-[(4-ethylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336525
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336489
chloromethane;[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-phenylmethanone;hydrate
CID 66916242
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 146131702
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
N-[4-[2-hydroxy-3-(N-propan-2-ylanilino)propoxy]phenyl]acetamide
CID 110907951
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea?
The IUPAC name of 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea (CID 94813696) is 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea is CN(C)C[C@H](O)COc1ccc(NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea?
The InChIKey is PAFPMUATDZUZKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(2)13-17(23)14-25-18-10-8-16(9-11-18)21-19(24)20-12-15-6-4-3-5-7-15/h3-11,17,23H,12-14H2,1-2H3,(H2,20,21,24)/t17-/m0/s1.
What are the key properties of 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea?
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea is sourced from PubChem (CID 94813696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).