5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C26H35N5O3 — CID 42757363

IUPAC5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCCCNC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C26H35N5O3/c1-3-4-13-27-26(33)29-20-11-12-22(21(18-20)25(32)28-19-9-10-19)30-14-16-31(17-15-30)23-7-5-6-8-24(23)34-2/h5-8,11-12,18-19H,3-4,9-10,13-17H2,1-2H3,(H,28,32)(H2,27,29,33)
InChIKeySJANISCKBNLLEL-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.84
Rot. Bonds9

About 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 42757363) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
PubChem CID42757363
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCCCCNC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C26H35N5O3/c1-3-4-13-27-26(33)29-20-11-12-22(21(18-20)25(32)28-19-9-10-19)30-14-16-31(17-15-30)23-7-5-6-8-24(23)34-2/h5-8,11-12,18-19H,3-4,9-10,13-17H2,1-2H3,(H,28,32)(H2,27,29,33)
InChIKeySJANISCKBNLLEL-UHFFFAOYSA-N
XLogP3.84
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569
5-(butylcarbamoylamino)-N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4224543
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 4007114
N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42757134
N-cyclohexyl-5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42659981
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
5-(butylcarbamoylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 3608965
5-[(2-bromobenzoyl)amino]-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 1066531
N-cyclopropyl-5-[(2,4-dichlorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42757365
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 4588005

Frequently Asked Questions

What is the IUPAC name of 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The IUPAC name of 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 42757363) is 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is CCCCNC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The InChIKey is SJANISCKBNLLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-3-4-13-27-26(33)29-20-11-12-22(21(18-20)25(32)28-19-9-10-19)30-14-16-31(17-15-30)23-7-5-6-8-24(23)34-2/h5-8,11-12,18-19H,3-4,9-10,13-17H2,1-2H3,(H,28,32)(H2,27,29,33).
What are the key properties of 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 465.60 g/mol, XLogP of 3.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylcarbamoylamino)-N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 42757363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).