N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

C24H33N5O3 — CID 4043726

IUPACN-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-5-14-25-24(31)29-17-15-28(16-18-29)20-12-10-19(11-13-20)26-23(30)27-21-8-6-7-9-22(21)32-4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,31)(H2,26,27,30)
InChIKeyWXBPWYDVOXZJRE-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.36
Rot. Bonds8

About N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide (PubChem CID 4043726) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
PubChem CID4043726
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)CC1
InChIInChI=1S/C24H33N5O3/c1-3-5-14-25-24(31)29-17-15-28(16-18-29)20-12-10-19(11-13-20)26-23(30)27-21-8-6-7-9-22(21)32-4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,31)(H2,26,27,30)
InChIKeyWXBPWYDVOXZJRE-UHFFFAOYSA-N
XLogP4.36
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90750957
1-(2-ethoxyphenyl)-3-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]urea
CID 172888667
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
N-butyl-4-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 3970845
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-butyl-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113103898
4-[4-[(3-bromophenyl)carbamoylamino]phenyl]-N-butylpiperazine-1-carboxamide
CID 42767278
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875
4-[5-[(2-ethoxyphenyl)carbamoylamino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 69448676
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide (CID 4043726) is N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3ccccc3OCC)cc2)CC1.
What is the InChIKey of N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
The InChIKey is WXBPWYDVOXZJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-3-5-14-25-24(31)29-17-15-28(16-18-29)20-12-10-19(11-13-20)26-23(30)27-21-8-6-7-9-22(21)32-4-2/h6-13H,3-5,14-18H2,1-2H3,(H,25,31)(H2,26,27,30).
What are the key properties of N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide?
N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 4043726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).