3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C15H24N3O3+ — CID 7144701

IUPAC3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCOCCC[NH2+]CC(=O)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H23N3O3/c1-12-5-3-6-13(9-12)18-15(20)11-17-14(19)10-16-7-4-8-21-2/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)/p+1
InChIKeyVBOQPKMBDVTLKZ-UHFFFAOYSA-O
MW294.38 g/mol
LogP-0.35
Rot. Bonds9

About 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 7144701) has the molecular formula C15H24N3O3+ and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID7144701
Molecular FormulaC15H24N3O3+
Molecular Weight294.38 g/mol
Exact Mass294.18
IUPAC Name3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCOCCC[NH2+]CC(=O)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H23N3O3/c1-12-5-3-6-13(9-12)18-15(20)11-17-14(19)10-16-7-4-8-21-2/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)/p+1
InChIKeyVBOQPKMBDVTLKZ-UHFFFAOYSA-O
XLogP-0.35
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-0.35
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

3,4,5-trimethoxy-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 27166909
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
2-[[2-[cyclopropyl-(2-methoxyacetyl)amino]acetyl]amino]-N-(3-methylphenyl)acetamide
CID 3254765
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-(3-methoxypropyl)azanium
CID 8894865
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
[2-(3-methylanilino)-2-oxoethyl]-[2-[4-(trifluoromethyl)phenyl]ethyl]azanium
CID 2455180
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 7144701) is 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is COCCC[NH2+]CC(=O)NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is VBOQPKMBDVTLKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O3/c1-12-5-3-6-13(9-12)18-15(20)11-17-14(19)10-16-7-4-8-21-2/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3,(H,17,19)(H,18,20)/p+1.
What are the key properties of 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 294.38 g/mol, XLogP of -0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 7144701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).