2-[(benzylamino)methyl]butanamide

C12H18N2O — CID 71433052

IUPAC2-[(benzylamino)methyl]butanamide
SMILESCCC(CNCc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-2-11(12(13)15)9-14-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15)
InChIKeyPZBIVQYXSCMYSP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.29
Rot. Bonds6

About 2-[(benzylamino)methyl]butanamide

2-[(benzylamino)methyl]butanamide (PubChem CID 71433052) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]butanamide.

Molecular Properties

Compound Name2-[(benzylamino)methyl]butanamide
PubChem CID71433052
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[(benzylamino)methyl]butanamide
SMILESCCC(CNCc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-2-11(12(13)15)9-14-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15)
InChIKeyPZBIVQYXSCMYSP-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)butanamide
CID 131998527
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
CID 115253125
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
dimethyl 4-[(benzylamino)methyl]-2,2-dimethylpentanedioate
CID 59469278
ethyl (2S)-3-(benzylamino)-2-methylsulfanylpropanoate
CID 125496564
(2S)-1-(benzylamino)propan-2-ol
CID 964914
N-benzyl-2-phenylbutan-1-amine
CID 60658494
methyl 2-[(benzylamino)methyl]-3-(N-benzylanilino)propanoate
CID 67135892
1-(benzylamino)-3-methylidenepentan-2-ol
CID 131995330
2-[(benzylamino)methyl]-3-hydroxypentanenitrile
CID 19099320

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]butanamide?
The IUPAC name of 2-[(benzylamino)methyl]butanamide (CID 71433052) is 2-[(benzylamino)methyl]butanamide.
What is the SMILES notation for 2-[(benzylamino)methyl]butanamide?
The canonical SMILES for 2-[(benzylamino)methyl]butanamide is CCC(CNCc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(benzylamino)methyl]butanamide?
The InChIKey is PZBIVQYXSCMYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-11(12(13)15)9-14-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H2,13,15).
What are the key properties of 2-[(benzylamino)methyl]butanamide?
2-[(benzylamino)methyl]butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]butanamide is sourced from PubChem (CID 71433052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).