1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea

C13H21N3O2 — CID 47202587

IUPAC1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-10(17)8-14-13(18)15-12-6-4-5-11(7-12)9-16(2)3/h4-7,10,17H,8-9H2,1-3H3,(H2,14,15,18)
InChIKeySABWFKOSCDGRED-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea

1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea (PubChem CID 47202587) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
PubChem CID47202587
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-10(17)8-14-13(18)15-12-6-4-5-11(7-12)9-16(2)3/h4-7,10,17H,8-9H2,1-3H3,(H2,14,15,18)
InChIKeySABWFKOSCDGRED-UHFFFAOYSA-N
XLogP1.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(dimethylamino)methyl]phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111115089
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450164
3-chloro-N-[3-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 62727196
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 48798165
1-(2,2-diethyl-4-hydroxybutyl)-3-[3-[(dimethylamino)methyl]phenyl]urea
CID 111499054
1-[3-[(dimethylamino)methyl]phenyl]-3-(1-hydroxybutan-2-yl)urea
CID 47202599
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
1-(3-ethylphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111431114
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea (CID 47202587) is 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea?
The InChIKey is SABWFKOSCDGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(17)8-14-13(18)15-12-6-4-5-11(7-12)9-16(2)3/h4-7,10,17H,8-9H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea?
1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]phenyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 47202587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).