3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide

C16H25N3O2 — CID 97278889

IUPAC3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C
InChIInChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)15(18(3)4)16(21)19(5)11-10-14(20)17-2/h6-9,15H,10-11H2,1-5H3,(H,17,20)/t15-/m1/s1
InChIKeyMNOJNXBUSCESTI-OAHLLOKOSA-N
MW291.40 g/mol
LogP1.19
Rot. Bonds6

About 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide

3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide (PubChem CID 97278889) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
PubChem CID97278889
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C
InChIInChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)15(18(3)4)16(21)19(5)11-10-14(20)17-2/h6-9,15H,10-11H2,1-5H3,(H,17,20)/t15-/m1/s1
InChIKeyMNOJNXBUSCESTI-OAHLLOKOSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638
2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
2-(dimethylamino)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 72926988
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885
2-(dimethylamino)-N-(2-hydroxyethyl)-2-(2-methylphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72890883
3-amino-2-benzyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-sulfanylidenepropanamide
CID 106915544
2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
CID 95193542
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide (CID 97278889) is 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C.
What is the InChIKey of 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide?
The InChIKey is MNOJNXBUSCESTI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)15(18(3)4)16(21)19(5)11-10-14(20)17-2/h6-9,15H,10-11H2,1-5H3,(H,17,20)/t15-/m1/s1.
What are the key properties of 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide?
3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 97278889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).