2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide

C14H22N2O — CID 114924872

IUPAC2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)16(3)14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3
InChIKeyKNYIPYWKXADBRM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide

2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 114924872) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
PubChem CID114924872
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(2)16(3)14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3
InChIKeyKNYIPYWKXADBRM-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
CID 114925251
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 104984034
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide (CID 114924872) is 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide is CC(C)N(C)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is KNYIPYWKXADBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16(3)14(17)13(15)10-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide?
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 114924872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).