[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea

C17H21N3O — CID 43790841

IUPAC[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
SMILESCC(C)C(Nc1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-12(2)16(13-7-4-3-5-8-13)19-14-9-6-10-15(11-14)20-17(18)21/h3-12,16,19H,1-2H3,(H3,18,20,21)
InChIKeyFGFDSTXFZGCANX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.99
Rot. Bonds5

About [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea

[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea (PubChem CID 43790841) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea.

Molecular Properties

Compound Name[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
PubChem CID43790841
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea
SMILESCC(C)C(Nc1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-12(2)16(13-7-4-3-5-8-13)19-14-9-6-10-15(11-14)20-17(18)21/h3-12,16,19H,1-2H3,(H3,18,20,21)
InChIKeyFGFDSTXFZGCANX-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzamide
CID 43767557
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
[3-[1-(4-chlorophenyl)ethylamino]phenyl]urea
CID 43744548
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
[3-[1-(4-methoxyphenyl)ethylamino]phenyl]urea
CID 43744617
[3-(methylamino)phenyl]urea
CID 23558981
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
CID 51078431
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea?
The IUPAC name of [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea (CID 43790841) is [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea.
What is the SMILES notation for [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea?
The canonical SMILES for [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea is CC(C)C(Nc1cccc(NC(N)=O)c1)c1ccccc1.
What is the InChIKey of [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea?
The InChIKey is FGFDSTXFZGCANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(2)16(13-7-4-3-5-8-13)19-14-9-6-10-15(11-14)20-17(18)21/h3-12,16,19H,1-2H3,(H3,18,20,21).
What are the key properties of [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea?
[3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea has a molecular weight of 283.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methyl-1-phenylpropyl)amino]phenyl]urea is sourced from PubChem (CID 43790841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).