2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide

C20H41N3O4 — CID 138728006

IUPAC2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)NC1CCN(CCOCCOCCOCCNC(=O)C(C)C)CC1
InChIInChI=1S/C20H41N3O4/c1-17(2)20(24)21-7-11-25-13-15-27-16-14-26-12-10-23-8-5-19(6-9-23)22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,21,24)
InChIKeyFMDBSBTZOOPDKM-UHFFFAOYSA-N
MW387.57 g/mol
LogP1.27
Rot. Bonds15

About 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide

2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 138728006) has the molecular formula C20H41N3O4 and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID138728006
Molecular FormulaC20H41N3O4
Molecular Weight387.57 g/mol
Exact Mass387.31
IUPAC Name2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCC(C)NC1CCN(CCOCCOCCOCCNC(=O)C(C)C)CC1
InChIInChI=1S/C20H41N3O4/c1-17(2)20(24)21-7-11-25-13-15-27-16-14-26-12-10-23-8-5-19(6-9-23)22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,21,24)
InChIKeyFMDBSBTZOOPDKM-UHFFFAOYSA-N
XLogP1.27
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 153390614
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
4-methyl-N-[3-[4-[3-[2-(2-methylpropanoylamino)ethoxy]propanoyl]piperazin-1-yl]propyl]pentanamide
CID 168721590
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
CID 176581495

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 138728006) is 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide is CC(C)NC1CCN(CCOCCOCCOCCNC(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is FMDBSBTZOOPDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O4/c1-17(2)20(24)21-7-11-25-13-15-27-16-14-26-12-10-23-8-5-19(6-9-23)22-18(3)4/h17-19,22H,5-16H2,1-4H3,(H,21,24).
What are the key properties of 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 387.57 g/mol, XLogP of 1.27, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 138728006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).