2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide

C17H26N2O3 — CID 113164636

IUPAC2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-10-18-17(21)13-19(14(2)20)11-9-15-7-6-8-16(12-15)22-3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,18,21)
InChIKeyFXDZMHPDEXKSGG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.00
Rot. Bonds9

About 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide

2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide (PubChem CID 113164636) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
PubChem CID113164636
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-4-5-10-18-17(21)13-19(14(2)20)11-9-15-7-6-8-16(12-15)22-3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,18,21)
InChIKeyFXDZMHPDEXKSGG-UHFFFAOYSA-N
XLogP2.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164665
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 113164779
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide?
The IUPAC name of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide (CID 113164636) is 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide?
The canonical SMILES for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide is CCCCNC(=O)CN(CCc1cccc(OC)c1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide?
The InChIKey is FXDZMHPDEXKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-5-10-18-17(21)13-19(14(2)20)11-9-15-7-6-8-16(12-15)22-3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,18,21).
What are the key properties of 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide?
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide has a molecular weight of 306.41 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide is sourced from PubChem (CID 113164636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).