N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide

C19H30N2O2 — CID 133148950

IUPACN-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)11-12-20-18(22)16(5)21(19(23)15(3)4)13-17-9-7-6-8-10-17/h6-10,14-16H,11-13H2,1-5H3,(H,20,22)
InChIKeyMZPGGEKIGUUADU-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.22
Rot. Bonds8

About N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide

N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide (PubChem CID 133148950) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
PubChem CID133148950
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
SMILESCC(C)CCNC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C19H30N2O2/c1-14(2)11-12-20-18(22)16(5)21(19(23)15(3)4)13-17-9-7-6-8-10-17/h6-10,14-16H,11-13H2,1-5H3,(H,20,22)
InChIKeyMZPGGEKIGUUADU-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
N-[(4-fluorophenyl)methyl]-2-methyl-N-[1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214755
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
2-[benzyl-(2-phenylacetyl)amino]-N-(2-hydroxyethyl)propanamide
CID 133148954
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190
N-benzyl-2-[benzyl(propanoyl)amino]propanamide
CID 133148772
tert-butyl-[(2R)-1-(3-methylbutylamino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 68573466
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide (CID 133148950) is N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide is CC(C)CCNC(=O)C(C)N(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide?
The InChIKey is MZPGGEKIGUUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)11-12-20-18(22)16(5)21(19(23)15(3)4)13-17-9-7-6-8-10-17/h6-10,14-16H,11-13H2,1-5H3,(H,20,22).
What are the key properties of N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide?
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 133148950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).