N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide

C15H24N2O — CID 62833900

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

About N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide

N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide (PubChem CID 62833900) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
PubChem CID62833900
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
SMILESCCNCCC(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-16-11-10-15(18)17(13(2)3)12-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyWOLWNZVTCCRQOW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(1-phenylethylamino)-N-propan-2-ylpropanamide
CID 109020269
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-3-(2-methylanilino)-N-propan-2-ylpropanamide
CID 109031682
N-benzyl-3-(2-morpholin-4-ylethylamino)-N-propan-2-ylpropanamide
CID 109016746
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-4-(2-ethoxyphenoxy)-N-propan-2-ylbutanamide
CID 55377741
N-benzyl-N-propan-2-ylacetamide
CID 23534449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide?
The IUPAC name of N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide (CID 62833900) is N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide is CCNCCC(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide?
The InChIKey is WOLWNZVTCCRQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-16-11-10-15(18)17(13(2)3)12-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3.
What are the key properties of N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide?
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide 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-3-(ethylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62833900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).