3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

C12H17N3O2 — CID 43553539

IUPAC3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CNCCC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-9-3-2-4-10(7-9)15-12(17)8-14-6-5-11(13)16/h2-4,7,14H,5-6,8H2,1H3,(H2,13,16)(H,15,17)
InChIKeyQNPURDQNMQVQKN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.40
Rot. Bonds6

About 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 43553539) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
PubChem CID43553539
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CNCCC(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-9-3-2-4-10(7-9)15-12(17)8-14-6-5-11(13)16/h2-4,7,14H,5-6,8H2,1H3,(H2,13,16)(H,15,17)
InChIKeyQNPURDQNMQVQKN-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.40
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

5-[[2-(3-methylanilino)-2-oxoethyl]amino]pentanamide
CID 106237407
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
5-[[2-(3-bromoanilino)-2-oxoethyl]amino]pentanamide
CID 106237194
2-[2-(methanesulfonamido)ethylamino]-N-(3-methylphenyl)acetamide
CID 43546022
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]propanamide
CID 43627349
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (CID 43553539) is 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is Cc1cccc(NC(=O)CNCCC(N)=O)c1.
What is the InChIKey of 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is QNPURDQNMQVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-3-2-4-10(7-9)15-12(17)8-14-6-5-11(13)16/h2-4,7,14H,5-6,8H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43553539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).