N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide

C28H32N4O3 — CID 46326508

IUPACN-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
SMILESCCOc1ccccc1NC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1N1CCCCC1
InChIInChI=1S/C28H32N4O3/c1-3-35-26-13-6-5-12-23(26)30-28(34)31-24-19-22(14-15-25(24)32-16-7-4-8-17-32)29-27(33)21-11-9-10-20(2)18-21/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3,(H,29,33)(H2,30,31,34)
InChIKeyMWOYWSLNESYWHK-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.28
Rot. Bonds7

About N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide

N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide (PubChem CID 46326508) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
PubChem CID46326508
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
SMILESCCOc1ccccc1NC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1N1CCCCC1
InChIInChI=1S/C28H32N4O3/c1-3-35-26-13-6-5-12-23(26)30-28(34)31-24-19-22(14-15-25(24)32-16-7-4-8-17-32)29-27(33)21-11-9-10-20(2)18-21/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3,(H,29,33)(H2,30,31,34)
InChIKeyMWOYWSLNESYWHK-UHFFFAOYSA-N
XLogP6.28
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3,5-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326500
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
N-[3-[(3-bromophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326353
N-[3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326380
methyl 3-[[5-[(3-methylbenzoyl)amino]-2-pyrrolidin-1-ylphenyl]carbamoylamino]thiophene-2-carboxylate
CID 46326389
ethyl 2-[[5-[(4-methylbenzoyl)amino]-2-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate
CID 46326408
N-cyclopropyl-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065611
N-[3-[(2-ethylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-4-fluorobenzamide
CID 46326639
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-[3-[(3,4-dimethylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326445

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide (CID 46326508) is N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide is CCOc1ccccc1NC(=O)Nc1cc(NC(=O)c2cccc(C)c2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide?
The InChIKey is MWOYWSLNESYWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-3-35-26-13-6-5-12-23(26)30-28(34)31-24-19-22(14-15-25(24)32-16-7-4-8-17-32)29-27(33)21-11-9-10-20(2)18-21/h5-6,9-15,18-19H,3-4,7-8,16-17H2,1-2H3,(H,29,33)(H2,30,31,34).
What are the key properties of N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide?
N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 6.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide is sourced from PubChem (CID 46326508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).