1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea

C16H25N3O2 — CID 108888338

IUPAC1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-3-13(4-2)17-16(20)18-14-7-5-6-8-15(14)19-9-11-21-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,17,18,20)
InChIKeyCTAMUDRTSOGPSF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea

1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea (PubChem CID 108888338) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
PubChem CID108888338
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H25N3O2/c1-3-13(4-2)17-16(20)18-14-7-5-6-8-15(14)19-9-11-21-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,17,18,20)
InChIKeyCTAMUDRTSOGPSF-UHFFFAOYSA-N
XLogP2.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3S)-1-hydroxypentan-3-yl]urea
CID 95635525
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
CID 95635526
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
CID 76787165
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea?
The IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea (CID 108888338) is 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea.
What is the SMILES notation for 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea?
The canonical SMILES for 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea?
The InChIKey is CTAMUDRTSOGPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-13(4-2)17-16(20)18-14-7-5-6-8-15(14)19-9-11-21-12-10-19/h5-8,13H,3-4,9-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea?
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea has a molecular weight of 291.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea is sourced from PubChem (CID 108888338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).