1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea

C29H46N6O2 — CID 101304136

IUPAC1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCN(C(N)=O)c1ccc(Cc2ccc(N(CCCN(CC)CC)C(N)=O)cc2)cc1
InChIInChI=1S/C29H46N6O2/c1-5-32(6-2)19-9-21-34(28(30)36)26-15-11-24(12-16-26)23-25-13-17-27(18-14-25)35(29(31)37)22-10-20-33(7-3)8-4/h11-18H,5-10,19-23H2,1-4H3,(H2,30,36)(H2,31,37)
InChIKeyAEYMABQHGOAZHY-UHFFFAOYSA-N
MW510.73 g/mol
LogP4.51
Rot. Bonds16

About 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea

1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea (PubChem CID 101304136) has the molecular formula C29H46N6O2 and a molecular weight of 510.73 g/mol. Its IUPAC name is 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea.

Molecular Properties

Compound Name1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
PubChem CID101304136
Molecular FormulaC29H46N6O2
Molecular Weight510.73 g/mol
Exact Mass510.37
IUPAC Name1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCN(C(N)=O)c1ccc(Cc2ccc(N(CCCN(CC)CC)C(N)=O)cc2)cc1
InChIInChI=1S/C29H46N6O2/c1-5-32(6-2)19-9-21-34(28(30)36)26-15-11-24(12-16-26)23-25-13-17-27(18-14-25)35(29(31)37)22-10-20-33(7-3)8-4/h11-18H,5-10,19-23H2,1-4H3,(H2,30,36)(H2,31,37)
InChIKeyAEYMABQHGOAZHY-UHFFFAOYSA-N
XLogP4.51
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.73
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea with MolForge

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Related Compounds

1-butyl-1-(4-ethylphenyl)urea
CID 45095409
1-[4-[[4-[carbamothioyl(ethyl)amino]phenyl]methyl]phenyl]-1-ethylthiourea
CID 19693287
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
CID 57263501
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
CID 70412302
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
1-[4-(diethylamino)butyl]-1-[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]urea
CID 70015500
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
3-[3-(diethylamino)propyl]benzamide
CID 175291972
1-[4-[[4-[carbamoyl(pentylsulfonyl)amino]phenyl]methyl]phenyl]-1-pentylsulfonylurea
CID 67851711
4-[3-(diethylamino)propyl]aniline
CID 10608385
N-[3-(dimethylamino)propyl]-N-(4-ethylphenyl)acetamide
CID 137469739
N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995290

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea?
The IUPAC name of 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea (CID 101304136) is 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea.
What is the SMILES notation for 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea?
The canonical SMILES for 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea is CCN(CC)CCCN(C(N)=O)c1ccc(Cc2ccc(N(CCCN(CC)CC)C(N)=O)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea?
The InChIKey is AEYMABQHGOAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N6O2/c1-5-32(6-2)19-9-21-34(28(30)36)26-15-11-24(12-16-26)23-25-13-17-27(18-14-25)35(29(31)37)22-10-20-33(7-3)8-4/h11-18H,5-10,19-23H2,1-4H3,(H2,30,36)(H2,31,37).
What are the key properties of 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea?
1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea has a molecular weight of 510.73 g/mol, XLogP of 4.51, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea is sourced from PubChem (CID 101304136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).