1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea

C14H22N2O3 — CID 47202620

IUPAC1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCCC(C)NC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C14H22N2O3/c1-4-11(2)15-14(17)16-12-5-7-13(8-6-12)19-10-9-18-3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyAKSCVDWIAAHYPC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds7

About 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea

1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea (PubChem CID 47202620) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
PubChem CID47202620
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea
SMILESCCC(C)NC(=O)Nc1ccc(OCCOC)cc1
InChIInChI=1S/C14H22N2O3/c1-4-11(2)15-14(17)16-12-5-7-13(8-6-12)19-10-9-18-3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17)
InChIKeyAKSCVDWIAAHYPC-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023
(2S)-2-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 55059835
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
1-(4-chlorophenyl)-3-[(2S)-4-methoxybutan-2-yl]urea
CID 124872443
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
1-(4-butoxyphenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3856337
1-[(2S)-butan-2-yl]-3-(4-methylsulfanylphenyl)urea
CID 51945610
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
1-[4-(1-aminoethyl)phenyl]-3-(4-methoxybutan-2-yl)urea
CID 64606150

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea (CID 47202620) is 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea is CCC(C)NC(=O)Nc1ccc(OCCOC)cc1.
What is the InChIKey of 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea?
The InChIKey is AKSCVDWIAAHYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-11(2)15-14(17)16-12-5-7-13(8-6-12)19-10-9-18-3/h5-8,11H,4,9-10H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea?
1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea has a molecular weight of 266.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[4-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 47202620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).