N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide

C20H40N2O4 — CID 166661442

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1(C(=O)NCCCOCCOCCOCCCN)CC1(C)C
InChIInChI=1S/C20H40N2O4/c1-18(2,3)20(16-19(20,4)5)17(23)22-9-7-11-25-13-15-26-14-12-24-10-6-8-21/h6-16,21H2,1-5H3,(H,22,23)
InChIKeyFIFPIDWIUDPPOB-UHFFFAOYSA-N
MW372.55 g/mol
LogP2.35
Rot. Bonds14

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 166661442) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID166661442
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1(C(=O)NCCCOCCOCCOCCCN)CC1(C)C
InChIInChI=1S/C20H40N2O4/c1-18(2,3)20(16-19(20,4)5)17(23)22-9-7-11-25-13-15-26-14-12-24-10-6-8-21/h6-16,21H2,1-5H3,(H,22,23)
InChIKeyFIFPIDWIUDPPOB-UHFFFAOYSA-N
XLogP2.35
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 52.35
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

1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide
CID 166661456
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
CID 143771941
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
1-(aminomethyl)-3-methyl-N-(3-propoxypropyl)cyclobutane-1-carboxamide
CID 82942792
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
(2S)-2,5-diamino-N-[3-[2-[2-[2-[2-[3-[[(2S)-2,5-diaminopentanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]pentanamide
CID 138616287
1-(aminomethyl)-N-(3-ethoxypropyl)-3-methylcyclobutane-1-carboxamide
CID 80587048
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-yne-1-carboxamide
CID 89389471
(2Z)-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-fluorocyclooct-2-ene-1-carboxamide
CID 144515284
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide (CID 166661442) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide is CC(C)(C)C1(C(=O)NCCCOCCOCCOCCCN)CC1(C)C.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is FIFPIDWIUDPPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-18(2,3)20(16-19(20,4)5)17(23)22-9-7-11-25-13-15-26-14-12-24-10-6-8-21/h6-16,21H2,1-5H3,(H,22,23).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 372.55 g/mol, XLogP of 2.35, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 166661442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).