5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide

C14H21N3O2 — CID 106237407

IUPAC5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
SMILESCc1cccc(NC(=O)CNCCCCC(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-11-5-4-6-12(9-11)17-14(19)10-16-8-3-2-7-13(15)18/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyYWWSCYBXEMJEDB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds8

About 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide

5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide (PubChem CID 106237407) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
PubChem CID106237407
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
SMILESCc1cccc(NC(=O)CNCCCCC(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-11-5-4-6-12(9-11)17-14(19)10-16-8-3-2-7-13(15)18/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,15,18)(H,17,19)
InChIKeyYWWSCYBXEMJEDB-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide?
The IUPAC name of 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide (CID 106237407) is 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide?
The canonical SMILES for 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide is Cc1cccc(NC(=O)CNCCCCC(N)=O)c1.
What is the InChIKey of 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide?
The InChIKey is YWWSCYBXEMJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-5-4-6-12(9-11)17-14(19)10-16-8-3-2-7-13(15)18/h4-6,9,16H,2-3,7-8,10H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide?
5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide is sourced from PubChem (CID 106237407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).