N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide

C14H22N2O — CID 61171893

IUPACN-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
SMILESCNC(=O)CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)8-7-12(2)16-10-14(17)15-3/h4-6,9,12,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyPBTYIDYMSCKWLU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds6

About N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide

N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide (PubChem CID 61171893) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
PubChem CID61171893
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide
SMILESCNC(=O)CNC(C)CCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)8-7-12(2)16-10-14(17)15-3/h4-6,9,12,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyPBTYIDYMSCKWLU-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
3-[4-(3-methylphenyl)butan-2-ylamino]propanoic acid
CID 61171891
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
N-methyl-2-[(3-methylphenyl)methylamino]acetamide
CID 43214398
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
2,2-dimethyl-3-[4-(3-methylphenyl)butan-2-ylamino]propanamide
CID 103917148
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
N-[(2-ethylphenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 64680088
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004794
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide?
The IUPAC name of N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide (CID 61171893) is N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide.
What is the SMILES notation for N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide?
The canonical SMILES for N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide is CNC(=O)CNC(C)CCc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide?
The InChIKey is PBTYIDYMSCKWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)8-7-12(2)16-10-14(17)15-3/h4-6,9,12,16H,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide?
N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide has a molecular weight of 234.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]acetamide is sourced from PubChem (CID 61171893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).