2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide

C15H22N2O3 — CID 113160082

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
SMILESCOCCCN(CC(=O)N(C)c1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-13(18)17(10-7-11-20-3)12-15(19)16(2)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyKPRUFSFZGAYVHT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds7

About 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide

2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide (PubChem CID 113160082) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
PubChem CID113160082
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
SMILESCOCCCN(CC(=O)N(C)c1ccccc1)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-13(18)17(10-7-11-20-3)12-15(19)16(2)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3
InChIKeyKPRUFSFZGAYVHT-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113160477
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113160180
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
CID 52679743
N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 113160057
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
N-(3-methoxypropyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113053321
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43442375

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide (CID 113160082) is 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide is COCCCN(CC(=O)N(C)c1ccccc1)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide?
The InChIKey is KPRUFSFZGAYVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13(18)17(10-7-11-20-3)12-15(19)16(2)14-8-5-4-6-9-14/h4-6,8-9H,7,10-12H2,1-3H3.
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide?
2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 113160082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).