N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide

C26H34N4O3 — CID 121063342

IUPACN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)20-10-14-22(15-11-20)30-25(33)28-17-16-27-23(31)19-8-12-21(13-9-19)29-24(32)18-6-4-5-7-18/h8-15,18H,4-7,16-17H2,1-3H3,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyZKMMPUGUGKYUGV-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.66
Rot. Bonds7

About N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide

N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide (PubChem CID 121063342) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
PubChem CID121063342
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)20-10-14-22(15-11-20)30-25(33)28-17-16-27-23(31)19-8-12-21(13-9-19)29-24(32)18-6-4-5-7-18/h8-15,18H,4-7,16-17H2,1-3H3,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyZKMMPUGUGKYUGV-UHFFFAOYSA-N
XLogP4.66
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tert-butylcarbamoylamino)ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063312
4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
4-(cyclopentanecarbonylamino)-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063317
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499358

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide (CID 121063342) is N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide is CC(C)(C)c1ccc(NC(=O)NCCNC(=O)c2ccc(NC(=O)C3CCCC3)cc2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
The InChIKey is ZKMMPUGUGKYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)20-10-14-22(15-11-20)30-25(33)28-17-16-27-23(31)19-8-12-21(13-9-19)29-24(32)18-6-4-5-7-18/h8-15,18H,4-7,16-17H2,1-3H3,(H,27,31)(H,29,32)(H2,28,30,33).
What are the key properties of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide?
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide has a molecular weight of 450.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide is sourced from PubChem (CID 121063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).