2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide

C22H45N3O3 — CID 170249660

IUPAC2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
SMILESCCCC(C)(CC)NCCOCCN1CCOC(CNC(=O)C(C)(C)CC)C1
InChIInChI=1S/C22H45N3O3/c1-7-10-22(6,9-3)24-11-14-27-15-12-25-13-16-28-19(18-25)17-23-20(26)21(4,5)8-2/h19,24H,7-18H2,1-6H3,(H,23,26)
InChIKeyMFJJFCHTXJIVRR-UHFFFAOYSA-N
MW399.62 g/mol
LogP2.81
Rot. Bonds14

About 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide

2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide (PubChem CID 170249660) has the molecular formula C22H45N3O3 and a molecular weight of 399.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
PubChem CID170249660
Molecular FormulaC22H45N3O3
Molecular Weight399.62 g/mol
Exact Mass399.35
IUPAC Name2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide
SMILESCCCC(C)(CC)NCCOCCN1CCOC(CNC(=O)C(C)(C)CC)C1
InChIInChI=1S/C22H45N3O3/c1-7-10-22(6,9-3)24-11-14-27-15-12-25-13-16-28-19(18-25)17-23-20(26)21(4,5)8-2/h19,24H,7-18H2,1-6H3,(H,23,26)
InChIKeyMFJJFCHTXJIVRR-UHFFFAOYSA-N
XLogP2.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methyloctanamide
CID 166800924
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
S-methyl N-[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]carbamothioate
CID 138727912
N-[[4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-ethyl-2-methylbutan-1-amine
CID 166800930
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
N-[[(2R)-4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]acetamide
CID 156802663
S-ethyl N-[[4-[2-(3-sulfanylpropoxy)ethyl]morpholin-2-yl]methyl]carbamothioate
CID 155439493
N-[[(2R)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2,5,5-trimethyl-8-[2-[2-[(2-methylpropanoylamino)methyl]morpholin-4-yl]ethoxy]octanamide
CID 170057233
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide (CID 170249660) is 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide is CCCC(C)(CC)NCCOCCN1CCOC(CNC(=O)C(C)(C)CC)C1.
What is the InChIKey of 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide?
The InChIKey is MFJJFCHTXJIVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O3/c1-7-10-22(6,9-3)24-11-14-27-15-12-25-13-16-28-19(18-25)17-23-20(26)21(4,5)8-2/h19,24H,7-18H2,1-6H3,(H,23,26).
What are the key properties of 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide?
2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide has a molecular weight of 399.62 g/mol, XLogP of 2.81, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-[2-[2-(3-methylhexan-3-ylamino)ethoxy]ethyl]morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 170249660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).