N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide

C15H24N2O — CID 60854868

IUPACN-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNC(C)C
InChIInChI=1S/C15H24N2O/c1-4-17(12-14-8-6-5-7-9-14)15(18)10-11-16-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyYJEHRKZXYSIWFZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds7

About N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide

N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide (PubChem CID 60854868) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
PubChem CID60854868
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNC(C)C
InChIInChI=1S/C15H24N2O/c1-4-17(12-14-8-6-5-7-9-14)15(18)10-11-16-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyYJEHRKZXYSIWFZ-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide (CID 60854868) is N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide is CCN(Cc1ccccc1)C(=O)CCNC(C)C.
What is the InChIKey of N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide?
The InChIKey is YJEHRKZXYSIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(12-14-8-6-5-7-9-14)15(18)10-11-16-13(2)3/h5-9,13,16H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide?
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60854868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).