3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide

C24H31N5O2 — CID 55911957

IUPAC3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)cc2)CC1
InChIInChI=1S/C24H31N5O2/c1-2-28-12-14-29(15-13-28)17-18-6-8-20(9-7-18)25-23(30)19-4-3-5-22(16-19)27-24(31)26-21-10-11-21/h3-9,16,21H,2,10-15,17H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyHSZFJORCVKJRDF-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.36
Rot. Bonds7

About 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide

3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 55911957) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID55911957
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)cc2)CC1
InChIInChI=1S/C24H31N5O2/c1-2-28-12-14-29(15-13-28)17-18-6-8-20(9-7-18)25-23(30)19-4-3-5-22(16-19)27-24(31)26-21-10-11-21/h3-9,16,21H,2,10-15,17H2,1H3,(H,25,30)(H2,26,27,31)
InChIKeyHSZFJORCVKJRDF-UHFFFAOYSA-N
XLogP3.36
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(phenylcarbamoylamino)benzamide
CID 60510762
1-[3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 55884104
3-(cyclopropylcarbamoylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55914786
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(tetrazol-1-yl)benzamide
CID 55930735
4-(cyclopropylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-nitrobenzamide
CID 60510436
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55843395
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-ethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952550
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide (CID 55911957) is 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide is CCN1CCN(Cc2ccc(NC(=O)c3cccc(NC(=O)NC4CC4)c3)cc2)CC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is HSZFJORCVKJRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-2-28-12-14-29(15-13-28)17-18-6-8-20(9-7-18)25-23(30)19-4-3-5-22(16-19)27-24(31)26-21-10-11-21/h3-9,16,21H,2,10-15,17H2,1H3,(H,25,30)(H2,26,27,31).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide?
3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 421.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55911957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).