1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide

C24H44N2O5 — CID 166661456

IUPAC1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide
SMILESC=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C24H44N2O5/c1-19(2)20(27)25-10-8-12-29-14-16-31-17-15-30-13-9-11-26-21(28)24(22(3,4)5)18-23(24,6)7/h1,8-18H2,2-7H3,(H,25,27)(H,26,28)
InChIKeyBJYZRQPBMUJZHV-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.09
Rot. Bonds16

About 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide

1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide (PubChem CID 166661456) has the molecular formula C24H44N2O5 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide
PubChem CID166661456
Molecular FormulaC24H44N2O5
Molecular Weight440.63 g/mol
Exact Mass440.33
IUPAC Name1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide
SMILESC=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C1(C(C)(C)C)CC1(C)C
InChIInChI=1S/C24H44N2O5/c1-19(2)20(27)25-10-8-12-29-14-16-31-17-15-30-13-9-11-26-21(28)24(22(3,4)5)18-23(24,6)7/h1,8-18H2,2-7H3,(H,25,27)(H,26,28)
InChIKeyBJYZRQPBMUJZHV-UHFFFAOYSA-N
XLogP3.09
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-1-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
CID 166661442
2-methyl-N-(4-pentoxybutyl)prop-2-enamide
CID 102118160
2-ethyl-3,3-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]-2-propan-2-ylbutanamide
CID 170180850
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
2-methyl-N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 140901902
tert-butyl 2-[3-(2-methylprop-2-enoylamino)propylamino]-2-oxoacetate
CID 141288067
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
4-(2-methylprop-2-enoylamino)butyl acetate
CID 87413342
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013
N-[3-(5,5-dimethylhexan-3-yloxy)propyl]-2-methylprop-2-enamide
CID 142381966
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide (CID 166661456) is 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide is C=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C1(C(C)(C)C)CC1(C)C.
What is the InChIKey of 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide?
The InChIKey is BJYZRQPBMUJZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N2O5/c1-19(2)20(27)25-10-8-12-29-14-16-31-17-15-30-13-9-11-26-21(28)24(22(3,4)5)18-23(24,6)7/h1,8-18H2,2-7H3,(H,25,27)(H,26,28).
What are the key properties of 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide?
1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 3.09, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166661456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).