N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide

C18H28N2O3 — CID 49381134

IUPACN-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
SMILESCCN(CC)C(=O)CCNC(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-20(4-2)18(22)12-13-19-17(21)11-8-14-23-15-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,19,21)
InChIKeyYWRXSNXHYGJZLB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.36
Rot. Bonds11

About N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide

N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide (PubChem CID 49381134) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
PubChem CID49381134
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide
SMILESCCN(CC)C(=O)CCNC(=O)CCCOCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-20(4-2)18(22)12-13-19-17(21)11-8-14-23-15-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,19,21)
InChIKeyYWRXSNXHYGJZLB-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.36
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-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833
2-oxo-5-phenylmethoxypentanal
CID 166844444
N-(2-phenylmethoxyethyl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629503
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546256
N-(3-phenylmethoxypropyl)benzamide
CID 60701514

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide (CID 49381134) is N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide is CCN(CC)C(=O)CCNC(=O)CCCOCc1ccccc1.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide?
The InChIKey is YWRXSNXHYGJZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-20(4-2)18(22)12-13-19-17(21)11-8-14-23-15-16-9-6-5-7-10-16/h5-7,9-10H,3-4,8,11-15H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide?
N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-4-phenylmethoxybutanamide is sourced from PubChem (CID 49381134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).