N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide

C15H23N3O3 — CID 82258455

IUPACN-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide
SMILESCCC(NCCNC(C)=O)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-4-13(18-8-7-17-10(2)19)15(20)11-5-6-14(21-3)12(16)9-11/h5-6,9,13,18H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyMHBABYUNXCNGBG-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.96
Rot. Bonds8

About N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide

N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide (PubChem CID 82258455) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide
PubChem CID82258455
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide
SMILESCCC(NCCNC(C)=O)C(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C15H23N3O3/c1-4-13(18-8-7-17-10(2)19)15(20)11-5-6-14(21-3)12(16)9-11/h5-6,9,13,18H,4,7-8,16H2,1-3H3,(H,17,19)
InChIKeyMHBABYUNXCNGBG-UHFFFAOYSA-N
XLogP0.96
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)butan-1-one
CID 82258463
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]-methylamino]propanoic acid
CID 82256712
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
[1-(butan-2-ylamino)-1-oxopropan-2-yl] 3-amino-4-methoxybenzoate
CID 61322426
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
1-(3-amino-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)butan-1-one
CID 82256692
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide (CID 82258455) is N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide is CCC(NCCNC(C)=O)C(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide?
The InChIKey is MHBABYUNXCNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-13(18-8-7-17-10(2)19)15(20)11-5-6-14(21-3)12(16)9-11/h5-6,9,13,18H,4,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide?
N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-amino-4-methoxyphenyl)-1-oxobutan-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 82258455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).