N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide

C24H48N2O4 — CID 164831434

IUPACN-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
SMILESCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48N2O4/c1-23(2,3)15-11-8-9-14-21(27)26-20(24(4,5)6)13-10-12-16-25-22(28)19-30-18-17-29-7/h20H,8-19H2,1-7H3,(H,25,28)(H,26,27)/t20-/m0/s1
InChIKeySHISYTRKASAOLH-FQEVSTJZSA-N
MW428.66 g/mol
LogP4.46
Rot. Bonds16

About N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide

N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide (PubChem CID 164831434) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide.

Molecular Properties

Compound NameN-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
PubChem CID164831434
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC NameN-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
SMILESCOCCOCC(=O)NCCCC[C@H](NC(=O)CCCCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C24H48N2O4/c1-23(2,3)15-11-8-9-14-21(27)26-20(24(4,5)6)13-10-12-16-25-22(28)19-30-18-17-29-7/h20H,8-19H2,1-7H3,(H,25,28)(H,26,27)/t20-/m0/s1
InChIKeySHISYTRKASAOLH-FQEVSTJZSA-N
XLogP4.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide 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

N-(6-methoxyhexyl)-7-[[2-[2-[2-(5-methoxypentanoylamino)ethoxy]ethoxy]acetyl]amino]-3-[4-[[2-[2-[2-(5-methoxypentanoylamino)ethoxy]ethoxy]acetyl]amino]butanoylamino]heptanamide
CID 170415736
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
N'-(7,7-dimethyloctyl)-12-oxo-N-propan-2-ylpentacosanediamide
CID 163866236
N-butyl-10,10-dimethylundecanamide
CID 19922141
N-[(5S)-5-(6,6-dimethylheptanoylamino)-6-[[6-[(7,7-dimethyl-6-oxooctyl)amino]-6-oxohexyl]amino]-6-oxohexyl]-6,6-dimethylheptanamide
CID 135302695
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide
CID 106357033
N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
CID 90347364
N'-(7,7-dimethyloctyl)-N-methyldecanediamide
CID 167085333
N-decyl-7,7-dimethyloctanamide
CID 139961894

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide?
The IUPAC name of N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide (CID 164831434) is N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide.
What is the SMILES notation for N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide?
The canonical SMILES for N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide is COCCOCC(=O)NCCCC[C@H](NC(=O)CCCCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide?
The InChIKey is SHISYTRKASAOLH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-23(2,3)15-11-8-9-14-21(27)26-20(24(4,5)6)13-10-12-16-25-22(28)19-30-18-17-29-7/h20H,8-19H2,1-7H3,(H,25,28)(H,26,27)/t20-/m0/s1.
What are the key properties of N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide?
N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide has a molecular weight of 428.66 g/mol, XLogP of 4.46, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide is sourced from PubChem (CID 164831434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).