N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide

C16H26N2O — CID 109013097

IUPACN-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
SMILESCCC(C)NCCC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(3)17-12-11-16(19)18(5-2)13-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyZEBQNLNLGZUGAT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds8

About N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide

N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide (PubChem CID 109013097) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
PubChem CID109013097
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
SMILESCCC(C)NCCC(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-4-14(3)17-12-11-16(19)18(5-2)13-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3
InChIKeyZEBQNLNLGZUGAT-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
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
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-benzyl-2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-ethylacetamide
CID 110943424
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109023020
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide (CID 109013097) is N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide is CCC(C)NCCC(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide?
The InChIKey is ZEBQNLNLGZUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(3)17-12-11-16(19)18(5-2)13-15-9-7-6-8-10-15/h6-10,14,17H,4-5,11-13H2,1-3H3.
What are the key properties of N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide?
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide is sourced from PubChem (CID 109013097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).