N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide

C18H36N2O4 — CID 166698453

IUPACN-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
SMILESCC(C)OCCCCCC(=O)NCC(=O)NCCCCOC(C)C
InChIInChI=1S/C18H36N2O4/c1-15(2)23-12-8-5-6-10-17(21)20-14-18(22)19-11-7-9-13-24-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRKDAKRMCPAPBDM-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.41
Rot. Bonds15

About N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide

N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide (PubChem CID 166698453) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
PubChem CID166698453
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC NameN-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
SMILESCC(C)OCCCCCC(=O)NCC(=O)NCCCCOC(C)C
InChIInChI=1S/C18H36N2O4/c1-15(2)23-12-8-5-6-10-17(21)20-14-18(22)19-11-7-9-13-24-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyRKDAKRMCPAPBDM-UHFFFAOYSA-N
XLogP2.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide 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

5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
6-methyl-4-oxo-N-(6-propan-2-yloxyhexyl)heptanamide
CID 163940607
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
N-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide
CID 155739597
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide?
The IUPAC name of N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide (CID 166698453) is N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide.
What is the SMILES notation for N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide?
The canonical SMILES for N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide is CC(C)OCCCCCC(=O)NCC(=O)NCCCCOC(C)C.
What is the InChIKey of N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide?
The InChIKey is RKDAKRMCPAPBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-15(2)23-12-8-5-6-10-17(21)20-14-18(22)19-11-7-9-13-24-16(3)4/h15-16H,5-14H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide?
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide has a molecular weight of 344.50 g/mol, XLogP of 2.41, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide is sourced from PubChem (CID 166698453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).