N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide

C15H23N3O3 — CID 103155311

IUPACN-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H23N3O3/c1-10(17-15(20)8-14(9-16)21-3)12-5-4-6-13(7-12)18-11(2)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyILWVBIAEDWCMOS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.19
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide

N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide (PubChem CID 103155311) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
PubChem CID103155311
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C15H23N3O3/c1-10(17-15(20)8-14(9-16)21-3)12-5-4-6-13(7-12)18-11(2)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyILWVBIAEDWCMOS-UHFFFAOYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide (CID 103155311) is N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide is COC(CN)CC(=O)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide?
The InChIKey is ILWVBIAEDWCMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(17-15(20)8-14(9-16)21-3)12-5-4-6-13(7-12)18-11(2)19/h4-7,10,14H,8-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide?
N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide has a molecular weight of 293.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-4-amino-3-methoxybutanamide is sourced from PubChem (CID 103155311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).