1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea

C23H33N3O2 — CID 70392099

IUPAC1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea
SMILESCCCCN(CCN(C(N)=O)c1ccc(OCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C23H33N3O2/c1-4-5-15-25(19(2)3)16-17-26(23(24)27)21-11-13-22(14-12-21)28-18-20-9-7-6-8-10-20/h6-14,19H,4-5,15-18H2,1-3H3,(H2,24,27)
InChIKeyPDOWCYCRSARTIU-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.66
Rot. Bonds11

About 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea

1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea (PubChem CID 70392099) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea
PubChem CID70392099
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea
SMILESCCCCN(CCN(C(N)=O)c1ccc(OCc2ccccc2)cc1)C(C)C
InChIInChI=1S/C23H33N3O2/c1-4-5-15-25(19(2)3)16-17-26(23(24)27)21-11-13-22(14-12-21)28-18-20-9-7-6-8-10-20/h6-14,19H,4-5,15-18H2,1-3H3,(H2,24,27)
InChIKeyPDOWCYCRSARTIU-UHFFFAOYSA-N
XLogP4.66
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(4-phenylmethoxyphenyl)urea
CID 70391991
phenoxymethylbenzene;tetradecane
CID 175006528
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
2-(N-acetyl-4-phenylmethoxyanilino)-N-pentylacetamide
CID 113177543
1-butyl-1-(4-ethylphenyl)urea
CID 45095409
1-(4-phenylmethoxyphenyl)ethyl pentacosanoate
CID 23032602
[(2R)-octan-2-yl] 4-phenylmethoxybenzoate
CID 139762634
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 67871370
1-(4-phenylmethoxyphenyl)ethyl pentanoate
CID 67493531
octan-3-yl 2-(4-phenylmethoxyphenyl)propanoate
CID 150364577
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea (CID 70392099) is 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea is CCCCN(CCN(C(N)=O)c1ccc(OCc2ccccc2)cc1)C(C)C.
What is the InChIKey of 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea?
The InChIKey is PDOWCYCRSARTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-4-5-15-25(19(2)3)16-17-26(23(24)27)21-11-13-22(14-12-21)28-18-20-9-7-6-8-10-20/h6-14,19H,4-5,15-18H2,1-3H3,(H2,24,27).
What are the key properties of 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea?
1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea has a molecular weight of 383.54 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(propan-2-yl)amino]ethyl]-1-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 70392099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).