1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea

C16H24N2O2 — CID 47133545

IUPAC1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCCOCC1CC1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)15(12)18-16(19)17-9-4-10-20-11-14-7-8-14/h3,5-6,14H,4,7-11H2,1-2H3,(H2,17,18,19)
InChIKeyBPFKSGXXDBYUET-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.24
Rot. Bonds7

About 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea

1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 47133545) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
PubChem CID47133545
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)NCCCOCC1CC1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)15(12)18-16(19)17-9-4-10-20-11-14-7-8-14/h3,5-6,14H,4,7-11H2,1-2H3,(H2,17,18,19)
InChIKeyBPFKSGXXDBYUET-UHFFFAOYSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597
1-[3-(cyclopropylmethoxy)propyl]-3-(4-methylsulfonylphenyl)urea
CID 47032630
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
1-(2,6-dimethylphenyl)-3-(2-fluoroethyl)urea
CID 59778684
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
1-[3-(cyclopropylmethoxy)propyl]-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044694
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(morpholine-4-carbonyl)phenyl]urea
CID 55698561
1-(2,6-dimethylphenyl)-3-[3-(propylideneamino)propyl]urea
CID 54185087
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
methyl 3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-fluorobenzoate
CID 86994017

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea (CID 47133545) is 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)NCCCOCC1CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is BPFKSGXXDBYUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)15(12)18-16(19)17-9-4-10-20-11-14-7-8-14/h3,5-6,14H,4,7-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea?
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 47133545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).