N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea

C26H32N4O3 — CID 142931244

IUPACN-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCCN(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.CNC(C)=O
InChIInChI=1S/C23H25N3O2.C3H7NO/c1-3-17-26(2)20-13-9-18(10-14-20)24-23(27)25-19-11-15-22(16-12-19)28-21-7-5-4-6-8-21;1-3(5)4-2/h4-16H,3,17H2,1-2H3,(H2,24,25,27);1-2H3,(H,4,5)
InChIKeyDZNPKVFURHVPKV-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.72
Rot. Bonds7

About N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea

N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea (PubChem CID 142931244) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound NameN-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea
PubChem CID142931244
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC NameN-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea
SMILESCCCN(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.CNC(C)=O
InChIInChI=1S/C23H25N3O2.C3H7NO/c1-3-17-26(2)20-13-9-18(10-14-20)24-23(27)25-19-11-15-22(16-12-19)28-21-7-5-4-6-8-21;1-3(5)4-2/h4-16H,3,17H2,1-2H3,(H2,24,25,27);1-2H3,(H,4,5)
InChIKeyDZNPKVFURHVPKV-UHFFFAOYSA-N
XLogP5.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
4-[methyl-[3-[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]propyl]amino]benzoic acid
CID 69418921
phenoxybenzene;N-phenylacetamide
CID 174350344
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
[3-[(4-phenoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865140
N-(4-acetamidophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1319046
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837

Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea (CID 142931244) is N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea is CCCN(C)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.CNC(C)=O.
What is the InChIKey of N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is DZNPKVFURHVPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C3H7NO/c1-3-17-26(2)20-13-9-18(10-14-20)24-23(27)25-19-11-15-22(16-12-19)28-21-7-5-4-6-8-21;1-3(5)4-2/h4-16H,3,17H2,1-2H3,(H2,24,25,27);1-2H3,(H,4,5).
What are the key properties of N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea?
N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 448.57 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;1-[4-[methyl(propyl)amino]phenyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 142931244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).