1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea

C22H28N4O3 — CID 156824911

IUPAC1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CN3CCNC4(COC4)C3)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-20-8-4-17(5-9-20)12-23-21(27)25-19-6-2-18(3-7-19)13-26-11-10-24-22(14-26)15-29-16-22/h2-9,24H,10-16H2,1H3,(H2,23,25,27)
InChIKeyPMAJAAZJAVZDIW-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.19
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea

1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea (PubChem CID 156824911) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea
PubChem CID156824911
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(CN3CCNC4(COC4)C3)cc2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-20-8-4-17(5-9-20)12-23-21(27)25-19-6-2-18(3-7-19)13-26-11-10-24-22(14-26)15-29-16-22/h2-9,24H,10-16H2,1H3,(H2,23,25,27)
InChIKeyPMAJAAZJAVZDIW-UHFFFAOYSA-N
XLogP2.19
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[4-[(3-methylazetidin-1-yl)methyl]phenyl]urea
CID 170288394
N-[[4-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]methyl]oxetane-3-carboxamide
CID 166706454
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-[(4-methoxyphenyl)methyl]-3-[4-[[(4R)-4-methyl-2-oxopiperidin-1-yl]methyl]phenyl]urea
CID 156824565
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea (CID 156824911) is 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea is COc1ccc(CNC(=O)Nc2ccc(CN3CCNC4(COC4)C3)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea?
The InChIKey is PMAJAAZJAVZDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-20-8-4-17(5-9-20)12-23-21(27)25-19-6-2-18(3-7-19)13-26-11-10-24-22(14-26)15-29-16-22/h2-9,24H,10-16H2,1H3,(H2,23,25,27).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea has a molecular weight of 396.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[4-(2-oxa-5,8-diazaspiro[3.5]nonan-8-ylmethyl)phenyl]urea is sourced from PubChem (CID 156824911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).