N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide

C16H26N2O2 — CID 125439248

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC[C@H](c1cccc(C)c1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12-8-7-9-13(10-12)14(18(4)5)11-17-15(19)16(2,3)20-6/h7-10,14H,11H2,1-6H3,(H,17,19)/t14-/m1/s1
InChIKeyZAVNPWCYGIGEMG-CQSZACIVSA-N
MW278.40 g/mol
LogP2.14
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide (PubChem CID 125439248) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
PubChem CID125439248
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC[C@H](c1cccc(C)c1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-12-8-7-9-13(10-12)14(18(4)5)11-17-15(19)16(2,3)20-6/h7-10,14H,11H2,1-6H3,(H,17,19)/t14-/m1/s1
InChIKeyZAVNPWCYGIGEMG-CQSZACIVSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55361997
methyl 3-(dimethylamino)-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 116910352
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide (CID 125439248) is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC[C@H](c1cccc(C)c1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide?
The InChIKey is ZAVNPWCYGIGEMG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-8-7-9-13(10-12)14(18(4)5)11-17-15(19)16(2,3)20-6/h7-10,14H,11H2,1-6H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide?
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 125439248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).