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

C14H21N3O3 — CID 106237534

IUPAC5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
SMILESCOc1cccc(NC(=O)CNCCCCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-20-12-6-4-5-11(9-12)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)
InChIKeyJMXOPMFLXKCNIT-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds9

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

5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide (PubChem CID 106237534) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
PubChem CID106237534
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
SMILESCOc1cccc(NC(=O)CNCCCCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-20-12-6-4-5-11(9-12)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)
InChIKeyJMXOPMFLXKCNIT-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
3-(3-methoxyanilino)propanamide
CID 43131962
4-amino-N-(3-methoxyphenyl)-4-sulfanylidenebutanamide
CID 94264248
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide?
The IUPAC name of 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide (CID 106237534) is 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide?
The canonical SMILES for 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide is COc1cccc(NC(=O)CNCCCCC(N)=O)c1.
What is the InChIKey of 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide?
The InChIKey is JMXOPMFLXKCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-20-12-6-4-5-11(9-12)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-methoxyanilino)-2-oxoethyl]amino]pentanamide?
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide is sourced from PubChem (CID 106237534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).