1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea

C34H40N4O2 — CID 59826221

IUPAC1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C34H40N4O2/c39-34(36-26-32-12-6-11-31-10-4-5-13-33(31)32)38(19-7-18-37-20-22-40-23-21-37)27-30-16-14-29(15-17-30)25-35-24-28-8-2-1-3-9-28/h1-6,8-17,35H,7,18-27H2,(H,36,39)
InChIKeyXIFZHEQKPCGJIM-UHFFFAOYSA-N
MW536.72 g/mol
LogP5.56
Rot. Bonds12

About 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea

1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (PubChem CID 59826221) has the molecular formula C34H40N4O2 and a molecular weight of 536.72 g/mol. Its IUPAC name is 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
PubChem CID59826221
Molecular FormulaC34H40N4O2
Molecular Weight536.72 g/mol
Exact Mass536.32
IUPAC Name1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C34H40N4O2/c39-34(36-26-32-12-6-11-31-10-4-5-13-33(31)32)38(19-7-18-37-20-22-40-23-21-37)27-30-16-14-29(15-17-30)25-35-24-28-8-2-1-3-9-28/h1-6,8-17,35H,7,18-27H2,(H,36,39)
InChIKeyXIFZHEQKPCGJIM-UHFFFAOYSA-N
XLogP5.56
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)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-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 59826247
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
3-benzyl-1-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 110670133
1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]-1-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]urea
CID 59826298
4-[[3-morpholin-4-ylpropyl(1-naphthalen-1-ylethylcarbamoyl)amino]methyl]benzoic acid
CID 69242484
N-(4-aminothiophen-3-yl)-4-[[benzylcarbamoyl(3-morpholin-4-ylpropyl)amino]methyl]benzamide
CID 67054227
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3194631
2-chloro-N-(3-morpholin-4-ylpropyl)-N-(naphthalen-1-ylmethyl)benzamide
CID 3818075
1-benzyl-3-(4-chlorophenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 3249090
1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)-1-[[4-[(pyrrolidin-3-ylamino)methyl]phenyl]methyl]urea
CID 71050488
1-[[4-(2-aminoethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-naphthalen-1-ylethyl)urea;dihydrochloride
CID 69199650

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea (CID 59826221) is 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea is O=C(NCc1cccc2ccccc12)N(CCCN1CCOCC1)Cc1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is XIFZHEQKPCGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O2/c39-34(36-26-32-12-6-11-31-10-4-5-13-33(31)32)38(19-7-18-37-20-22-40-23-21-37)27-30-16-14-29(15-17-30)25-35-24-28-8-2-1-3-9-28/h1-6,8-17,35H,7,18-27H2,(H,36,39).
What are the key properties of 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea?
1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 536.72 g/mol, XLogP of 5.56, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(benzylamino)methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 59826221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).