1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea

C16H26N2O2 — CID 47264632

IUPAC1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)17-16(19)18-14-9-7-8-10-15(14)20-11-12(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,17,18,19)
InChIKeyDRWLMKRJHDNSDF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.03
Rot. Bonds7

About 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea

1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea (PubChem CID 47264632) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
PubChem CID47264632
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
SMILESCCC(CC)NC(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O2/c1-5-13(6-2)17-16(19)18-14-9-7-8-10-15(14)20-11-12(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,17,18,19)
InChIKeyDRWLMKRJHDNSDF-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
1-(2-ethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812234
1-(1-methoxybutan-2-yl)-3-(2-phenoxyphenyl)urea
CID 23937340
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[2-(2-methylpropoxy)phenyl]urea
CID 94166237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea?
The IUPAC name of 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea (CID 47264632) is 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea is CCC(CC)NC(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea?
The InChIKey is DRWLMKRJHDNSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-13(6-2)17-16(19)18-14-9-7-8-10-15(14)20-11-12(3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea?
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea has a molecular weight of 278.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea is sourced from PubChem (CID 47264632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).