N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide

C15H23N3O2 — CID 62832902

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-4-16-10-9-15(20)17-14-8-6-5-7-13(14)11-18(3)12(2)19/h5-8,16H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyZDMDYKDEUMGTBU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.60
Rot. Bonds7

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide (PubChem CID 62832902) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
PubChem CID62832902
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccccc1CN(C)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-4-16-10-9-15(20)17-14-8-6-5-7-13(14)11-18(3)12(2)19/h5-8,16H,4,9-11H2,1-3H3,(H,17,20)
InChIKeyZDMDYKDEUMGTBU-UHFFFAOYSA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 38324139
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide (CID 62832902) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccccc1CN(C)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide?
The InChIKey is ZDMDYKDEUMGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-16-10-9-15(20)17-14-8-6-5-7-13(14)11-18(3)12(2)19/h5-8,16H,4,9-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62832902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).