1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea

C25H37N5O — CID 78886106

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NC(CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C25H37N5O/c1-4-29-14-16-30(17-15-29)19-23-13-9-8-12-22(23)18-26-25(31)27-24(20-28(2)3)21-10-6-5-7-11-21/h5-13,24H,4,14-20H2,1-3H3,(H2,26,27,31)
InChIKeyNULQUHJCMKNYSA-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.93
Rot. Bonds9

About 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea

1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 78886106) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
PubChem CID78886106
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea
SMILESCCN1CCN(Cc2ccccc2CNC(=O)NC(CN(C)C)c2ccccc2)CC1
InChIInChI=1S/C25H37N5O/c1-4-29-14-16-30(17-15-29)19-23-13-9-8-12-22(23)18-26-25(31)27-24(20-28(2)3)21-10-6-5-7-11-21/h5-13,24H,4,14-20H2,1-3H3,(H2,26,27,31)
InChIKeyNULQUHJCMKNYSA-UHFFFAOYSA-N
XLogP2.93
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 78886135
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46673701
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505818
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51729053
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892419
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea (CID 78886106) is 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea is CCN1CCN(Cc2ccccc2CNC(=O)NC(CN(C)C)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is NULQUHJCMKNYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-4-29-14-16-30(17-15-29)19-23-13-9-8-12-22(23)18-26-25(31)27-24(20-28(2)3)21-10-6-5-7-11-21/h5-13,24H,4,14-20H2,1-3H3,(H2,26,27,31).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 423.61 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 78886106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).