1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

C15H24N2O2 — CID 47024767

IUPAC1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)CNC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-16-15(18)17-10-13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyYVFCMQKAUZTICX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea

1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea (PubChem CID 47024767) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
PubChem CID47024767
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)CNC(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-16-15(18)17-10-13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyYVFCMQKAUZTICX-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-propan-2-yloxyphenyl)methyl]-3-propylurea
CID 47218923
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
1-(3-hydroxy-4-methylpentyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 111504474
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 33158981
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
1-[(4-fluorophenyl)methyl]-3-[4-(4-propan-2-yloxyphenyl)butan-2-yl]urea
CID 60544210

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea (CID 47024767) is 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea is CC(C)CNC(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is YVFCMQKAUZTICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-16-15(18)17-10-13-5-7-14(8-6-13)19-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea?
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 47024767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).