N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide

C15H23N3O2 — CID 80543349

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C(C)CCN
InChIInChI=1S/C15H23N3O2/c1-11(8-9-16)15(20)17-14-7-5-4-6-13(14)10-18(3)12(2)19/h4-7,11H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyIWKYNTFQZYNTGK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.59
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide (PubChem CID 80543349) 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]-4-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
PubChem CID80543349
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C(C)CCN
InChIInChI=1S/C15H23N3O2/c1-11(8-9-16)15(20)17-14-7-5-4-6-13(14)10-18(3)12(2)19/h4-7,11H,8-10,16H2,1-3H3,(H,17,20)
InChIKeyIWKYNTFQZYNTGK-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
CID 62999124
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
N-methyl-N-[[2-(2-methylpentan-3-ylamino)phenyl]methyl]acetamide
CID 43782865
4-amino-N-(2-hydroxy-3-methylphenyl)-2-methylbutanamide
CID 80545256
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55614379
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide (CID 80543349) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide is CC(=O)N(C)Cc1ccccc1NC(=O)C(C)CCN.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide?
The InChIKey is IWKYNTFQZYNTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(8-9-16)15(20)17-14-7-5-4-6-13(14)10-18(3)12(2)19/h4-7,11H,8-10,16H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.59, 6 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]-4-amino-2-methylbutanamide is sourced from PubChem (CID 80543349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).