N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide

C19H30N2O3 — CID 133148921

IUPACN-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCCOCC
InChIInChI=1S/C19H30N2O3/c1-4-10-18(22)21(15-17-11-7-6-8-12-17)16(3)19(23)20-13-9-14-24-5-2/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,20,23)
InChIKeyXWWJLCUUTHNLNR-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.75
Rot. Bonds11

About N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide

N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 133148921) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide
PubChem CID133148921
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCCOCC
InChIInChI=1S/C19H30N2O3/c1-4-10-18(22)21(15-17-11-7-6-8-12-17)16(3)19(23)20-13-9-14-24-5-2/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,20,23)
InChIKeyXWWJLCUUTHNLNR-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 132649959
2-[benzyl(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 132701689
2-[benzyl-(2-phenylacetyl)amino]-N-(3-ethoxypropyl)-3-phenylpropanamide
CID 133214124
2-[benzyl(butanoyl)amino]-N-butylbutanamide
CID 132699427
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
N-[(4-bromophenyl)methyl]-N-[(2S)-1-(butylamino)-1-oxopropan-2-yl]butanamide
CID 100578798
2-[(4-bromophenyl)methyl-(3-phenylpropanoyl)amino]-N-butylpropanamide
CID 133152094
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
N-benzyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]butanamide
CID 133148925
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 100527476
N-benzyl-N-butan-2-ylbutanamide
CID 60717440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide (CID 133148921) is N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide is CCCC(=O)N(Cc1ccccc1)C(C)C(=O)NCCCOCC.
What is the InChIKey of N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is XWWJLCUUTHNLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-10-18(22)21(15-17-11-7-6-8-12-17)16(3)19(23)20-13-9-14-24-5-2/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3,(H,20,23).
What are the key properties of N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide?
N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(3-ethoxypropylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 133148921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).