1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea

C20H34N4O2 — CID 110622760

IUPAC1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1
InChIInChI=1S/C20H34N4O2/c1-5-16(3)22-20(25)21-15-19(17-7-9-18(26-4)10-8-17)24-13-11-23(6-2)12-14-24/h7-10,16,19H,5-6,11-15H2,1-4H3,(H2,21,22,25)
InChIKeyHXPYSQMKSJIBKT-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.47
Rot. Bonds8

About 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea

1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea (PubChem CID 110622760) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea
PubChem CID110622760
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea
SMILESCCC(C)NC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1
InChIInChI=1S/C20H34N4O2/c1-5-16(3)22-20(25)21-15-19(17-7-9-18(26-4)10-8-17)24-13-11-23(6-2)12-14-24/h7-10,16,19H,5-6,11-15H2,1-4H3,(H2,21,22,25)
InChIKeyHXPYSQMKSJIBKT-UHFFFAOYSA-N
XLogP2.47
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 112505226
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
CID 110622266
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]acetamide
CID 112504470
N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 92766710
3-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829578
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-(2-hydroxyethyl)-N'-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 43990661

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea (CID 110622760) is 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea is CCC(C)NC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1.
What is the InChIKey of 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is HXPYSQMKSJIBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-16(3)22-20(25)21-15-19(17-7-9-18(26-4)10-8-17)24-13-11-23(6-2)12-14-24/h7-10,16,19H,5-6,11-15H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea?
1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 362.52 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 110622760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).