3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea

C23H32N4O2 — CID 42706411

IUPAC3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)c1ccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H32N4O2/c1-25(2)22-10-8-21(9-11-22)19-27(13-12-26-14-16-29-17-15-26)23(28)24-18-20-6-4-3-5-7-20/h3-11H,12-19H2,1-2H3,(H,24,28)
InChIKeyAMVNQIJCWRRTDC-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.80
Rot. Bonds8

About 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea

3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 42706411) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
PubChem CID42706411
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)c1ccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H32N4O2/c1-25(2)22-10-8-21(9-11-22)19-27(13-12-26-14-16-29-17-15-26)23(28)24-18-20-6-4-3-5-7-20/h3-11H,12-19H2,1-2H3,(H,24,28)
InChIKeyAMVNQIJCWRRTDC-UHFFFAOYSA-N
XLogP2.80
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
3-(2-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706414
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 59826221
N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42706400
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 42702545
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42701638
1-[[4-(dimethylamino)phenyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701635
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826247

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea (CID 42706411) is 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea is CN(C)c1ccc(CN(CCN2CCOCC2)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is AMVNQIJCWRRTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-25(2)22-10-8-21(9-11-22)19-27(13-12-26-14-16-29-17-15-26)23(28)24-18-20-6-4-3-5-7-20/h3-11H,12-19H2,1-2H3,(H,24,28).
What are the key properties of 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea?
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 396.54 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 42706411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).