N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide

C20H41N3O4 — CID 170124015

IUPACN-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
SMILESCC(C)CNC(=O)CCOCC(C)(C)CNC(=O)CCOCCNC(C)C
InChIInChI=1S/C20H41N3O4/c1-16(2)13-22-18(24)8-11-27-15-20(5,6)14-23-19(25)7-10-26-12-9-21-17(3)4/h16-17,21H,7-15H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyILLDMGFZFDHPDY-UHFFFAOYSA-N
MW387.57 g/mol
LogP1.71
Rot. Bonds16

About N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide

N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide (PubChem CID 170124015) has the molecular formula C20H41N3O4 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
PubChem CID170124015
Molecular FormulaC20H41N3O4
Molecular Weight387.57 g/mol
Exact Mass387.31
IUPAC NameN-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide
SMILESCC(C)CNC(=O)CCOCC(C)(C)CNC(=O)CCOCCNC(C)C
InChIInChI=1S/C20H41N3O4/c1-16(2)13-22-18(24)8-11-27-15-20(5,6)14-23-19(25)7-10-26-12-9-21-17(3)4/h16-17,21H,7-15H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyILLDMGFZFDHPDY-UHFFFAOYSA-N
XLogP1.71
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 171803932
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
5,5-dimethyl-4-oxo-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]hexanamide
CID 139469641
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
3-[4-[(2-methylpropan-2-yl)oxy]butoxy]-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 163926575

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide?
The IUPAC name of N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide (CID 170124015) is N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide.
What is the SMILES notation for N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide?
The canonical SMILES for N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide is CC(C)CNC(=O)CCOCC(C)(C)CNC(=O)CCOCCNC(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide?
The InChIKey is ILLDMGFZFDHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O4/c1-16(2)13-22-18(24)8-11-27-15-20(5,6)14-23-19(25)7-10-26-12-9-21-17(3)4/h16-17,21H,7-15H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide?
N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide has a molecular weight of 387.57 g/mol, XLogP of 1.71, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[3-(2-methylpropylamino)-3-oxopropoxy]propyl]-3-[2-(propan-2-ylamino)ethoxy]propanamide is sourced from PubChem (CID 170124015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).