N,N-ditert-butyl-5-oxo-7-propoxyheptanamide

C18H35NO3 — CID 161402532

IUPACN,N-ditert-butyl-5-oxo-7-propoxyheptanamide
SMILESCCCOCCC(=O)CCCC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H35NO3/c1-8-13-22-14-12-15(20)10-9-11-16(21)19(17(2,3)4)18(5,6)7/h8-14H2,1-7H3
InChIKeyVUKOLHCVVAFGLW-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.97
Rot. Bonds9

About N,N-ditert-butyl-5-oxo-7-propoxyheptanamide

N,N-ditert-butyl-5-oxo-7-propoxyheptanamide (PubChem CID 161402532) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is N,N-ditert-butyl-5-oxo-7-propoxyheptanamide.

Molecular Properties

Compound NameN,N-ditert-butyl-5-oxo-7-propoxyheptanamide
PubChem CID161402532
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC NameN,N-ditert-butyl-5-oxo-7-propoxyheptanamide
SMILESCCCOCCC(=O)CCCC(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H35NO3/c1-8-13-22-14-12-15(20)10-9-11-16(21)19(17(2,3)4)18(5,6)7/h8-14H2,1-7H3
InChIKeyVUKOLHCVVAFGLW-UHFFFAOYSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-ditert-butyl-5-oxo-7-propoxyheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propoxyhenicosan-4-one
CID 157232243
6-ethylsulfonyl-1-propoxyhexan-3-one
CID 105103944
4-bromo-N,N-ditert-butylbutanamide
CID 134202190
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 165011852
1-(2,2,2-trifluoroethoxy)nonan-3-one
CID 103146875
1-[2-[2-[methyl-[2-[2-(3-oxooctoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]octan-3-one
CID 163930166
N,N-bis(3,3-dimethylbutyl)-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide;N,N-bis(3,3-dimethylbutyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanamide;N,N-bis(3,3-dimethylbutyl)-4-oxooctanamide;N,N-bis(3,3-dimethylbutyl)-4-oxo-7-[2-[2-[2-(3-oxoheptoxy)ethoxy]ethoxy]ethoxy]heptanamide;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-bis(3,3-dimethylbutyl)propanamide;methane
CID 158207520
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
8-ethoxy-6-oxooctanoic acid
CID 154310113
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]octan-3-one
CID 171850546

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-5-oxo-7-propoxyheptanamide?
The IUPAC name of N,N-ditert-butyl-5-oxo-7-propoxyheptanamide (CID 161402532) is N,N-ditert-butyl-5-oxo-7-propoxyheptanamide.
What is the SMILES notation for N,N-ditert-butyl-5-oxo-7-propoxyheptanamide?
The canonical SMILES for N,N-ditert-butyl-5-oxo-7-propoxyheptanamide is CCCOCCC(=O)CCCC(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-5-oxo-7-propoxyheptanamide?
The InChIKey is VUKOLHCVVAFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-8-13-22-14-12-15(20)10-9-11-16(21)19(17(2,3)4)18(5,6)7/h8-14H2,1-7H3.
What are the key properties of N,N-ditert-butyl-5-oxo-7-propoxyheptanamide?
N,N-ditert-butyl-5-oxo-7-propoxyheptanamide has a molecular weight of 313.48 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-5-oxo-7-propoxyheptanamide is sourced from PubChem (CID 161402532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).