2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide

C30H60N2O3 — CID 134822530

IUPAC2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COC(CCCCCC)C(=O)N(CC)CC
InChIInChI=1S/C30H60N2O3/c1-6-11-14-17-19-22-25-32(26-23-20-18-15-12-7-2)29(33)27-35-28(24-21-16-13-8-3)30(34)31(9-4)10-5/h28H,6-27H2,1-5H3
InChIKeyOUPICOVEJIGPGB-UHFFFAOYSA-N
MW496.82 g/mol
LogP7.76
Rot. Bonds25

About 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide

2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide (PubChem CID 134822530) has the molecular formula C30H60N2O3 and a molecular weight of 496.82 g/mol. Its IUPAC name is 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide.

Molecular Properties

Compound Name2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide
PubChem CID134822530
Molecular FormulaC30H60N2O3
Molecular Weight496.82 g/mol
Exact Mass496.46
IUPAC Name2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)COC(CCCCCC)C(=O)N(CC)CC
InChIInChI=1S/C30H60N2O3/c1-6-11-14-17-19-22-25-32(26-23-20-18-15-12-7-2)29(33)27-35-28(24-21-16-13-8-3)30(34)31(9-4)10-5/h28H,6-27H2,1-5H3
InChIKeyOUPICOVEJIGPGB-UHFFFAOYSA-N
XLogP7.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide 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

Calcium ionophore
CID 2511
cyclo[D-N(Me)Ala-ONle(Me)(Me)-D-N(Me)Ala-ONle(Me)(Me)]
CID 171345048
(-)-(R,R)-N,N'-Bis(11-(ethoxycarbonyl)undecyl)-N,N',4,5-tetramethyl-3,6-dioxaoctanediamide
CID 14009349
{[2-(Heptanoyloxy)propanoyl]imino}diethane-2,1-diyl diheptanoate
CID 229648
(2R,3S)-N,N-diethyl-3-nonanoyl-oxirane-2-carboxamide
CID 25268531
(2R,3S)-3-dodecyl-N,N-diethyloxirane-2-carboxamide
CID 10638801
n,n'-Dimethyl-n,n'-dioctylhexylethoxymalonamide
CID 86208723
N,N,N',N'-tetrakis-2-ethylhexyldiglycolamide
CID 87410782
methyl-N,N,N',N'-tetraoctyldiglycolamide
CID 122386572
Ethyl 12-[7-(11-ethoxy-11-oxoundecyl)-2,3,10-trimethyl-6,11-dioxo-1,4-dioxa-10-aza-7-azoniacyclododec-7-yl]dodecanoate
CID 100850
11-([2-(2-([(10-Ethoxycarbonyldecyl)methylcarbamoyl]methoxy)ethoxy)acetyl]methylamino)-undecanoic acid, ethyl ester
CID 630042
1-(Dibutylamino)-1-oxopropan-2-yl dodecanoate
CID 223966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide?
The IUPAC name of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide (CID 134822530) is 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide.
What is the SMILES notation for 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide?
The canonical SMILES for 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide is CCCCCCCCN(CCCCCCCC)C(=O)COC(CCCCCC)C(=O)N(CC)CC.
What is the InChIKey of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide?
The InChIKey is OUPICOVEJIGPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O3/c1-6-11-14-17-19-22-25-32(26-23-20-18-15-12-7-2)29(33)27-35-28(24-21-16-13-8-3)30(34)31(9-4)10-5/h28H,6-27H2,1-5H3.
What are the key properties of 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide?
2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide has a molecular weight of 496.82 g/mol, XLogP of 7.76, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dioctylamino)-2-oxoethoxy]-N,N-diethyloctanamide is sourced from PubChem (CID 134822530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).