1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

C14H23N3O2 — CID 104553891

IUPAC1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C14H23N3O2/c1-10(9-18)17(4)14(19)16-13-7-5-6-12(8-13)11(2)15-3/h5-8,10-11,15,18H,9H2,1-4H3,(H,16,19)
InChIKeyRBXYMAHMXXDVGA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds5

About 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea

1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 104553891) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
PubChem CID104553891
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1cccc(NC(=O)N(C)C(C)CO)c1
InChIInChI=1S/C14H23N3O2/c1-10(9-18)17(4)14(19)16-13-7-5-6-12(8-13)11(2)15-3/h5-8,10-11,15,18H,9H2,1-4H3,(H,16,19)
InChIKeyRBXYMAHMXXDVGA-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(2-methylbutyl)urea
CID 61339498
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-(2-ethoxyethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 81062754
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
3-[3-[1-(ethylamino)ethyl]phenyl]-1-(1-methoxypropan-2-yl)-1-methylurea
CID 61455487
1-(cyclopentylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63657389
1-(3-methoxypropyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 63008742
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
CID 97253577
1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61426804
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea (CID 104553891) is 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1cccc(NC(=O)N(C)C(C)CO)c1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is RBXYMAHMXXDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(9-18)17(4)14(19)16-13-7-5-6-12(8-13)11(2)15-3/h5-8,10-11,15,18H,9H2,1-4H3,(H,16,19).
What are the key properties of 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea?
1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 104553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).