N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide

C23H29N3O3 — CID 119304611

IUPACN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-2-6-20(7-3-17)26-22(27)16-29-21-8-4-18(5-9-21)10-15-25-23(28)19-11-13-24-14-12-19/h2-9,19,24H,10-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyIHRGFZPDVUFVEQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide

N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 119304611) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
PubChem CID119304611
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-17-2-6-20(7-3-17)26-22(27)16-29-21-8-4-18(5-9-21)10-15-25-23(28)19-11-13-24-14-12-19/h2-9,19,24H,10-16H2,1H3,(H,25,28)(H,26,27)
InChIKeyIHRGFZPDVUFVEQ-UHFFFAOYSA-N
XLogP2.67
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119751120
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
4-hydroxy-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119751106
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-[2-(4-methoxyphenyl)ethyl]-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16809626
3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119750840
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[[4-[4-(4-methylphenoxy)butanoylamino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119722645
N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]morpholine-2-carboxamide
CID 119750855
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide (CID 119304611) is N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)COc2ccc(CCNC(=O)C3CCNCC3)cc2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is IHRGFZPDVUFVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-2-6-20(7-3-17)26-22(27)16-29-21-8-4-18(5-9-21)10-15-25-23(28)19-11-13-24-14-12-19/h2-9,19,24H,10-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide?
N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119304611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).