1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea

C24H35N5O — CID 78886135

IUPAC1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NCCN(C)c2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-3-28-15-17-29(18-16-28)20-22-10-8-7-9-21(22)19-26-24(30)25-13-14-27(2)23-11-5-4-6-12-23/h4-12H,3,13-20H2,1-2H3,(H2,25,26,30)
InChIKeyRANGBWTXVGOQQI-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.76
Rot. Bonds9

About 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea

1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea (PubChem CID 78886135) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
PubChem CID78886135
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NCCN(C)c2ccccc2)CC1
InChIInChI=1S/C24H35N5O/c1-3-28-15-17-29(18-16-28)20-22-10-8-7-9-21(22)19-26-24(30)25-13-14-27(2)23-11-5-4-6-12-23/h4-12H,3,13-20H2,1-2H3,(H2,25,26,30)
InChIKeyRANGBWTXVGOQQI-UHFFFAOYSA-N
XLogP2.76
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea with MolForge

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 78886106
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889597
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
1-[3-(N-methylanilino)propyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 60606672
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546544
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-[2-(dimethylamino)ethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-[(4-fluorophenyl)methyl]urea
CID 55912033
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 38949763
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
CID 51117969

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The IUPAC name of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea (CID 78886135) is 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea.
What is the SMILES notation for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The canonical SMILES for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea is CCN1CCN(Cc2ccccc2CNC(=O)NCCN(C)c2ccccc2)CC1.
What is the InChIKey of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
The InChIKey is RANGBWTXVGOQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-3-28-15-17-29(18-16-28)20-22-10-8-7-9-21(22)19-26-24(30)25-13-14-27(2)23-11-5-4-6-12-23/h4-12H,3,13-20H2,1-2H3,(H2,25,26,30).
What are the key properties of 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea?
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea has a molecular weight of 409.58 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea is sourced from PubChem (CID 78886135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).