1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide

C16H30N2O3 — CID 102861578

IUPAC1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(CCCO)C2CCC2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-11-16(17,15(13,2)3)14(20)18(9-6-10-19)12-7-5-8-12/h12-13,19H,4-11,17H2,1-3H3
InChIKeyXLXWBRUYQXSBPE-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.28
Rot. Bonds7

About 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 102861578) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID102861578
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(CCCO)C2CCC2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-11-16(17,15(13,2)3)14(20)18(9-6-10-19)12-7-5-8-12/h12-13,19H,4-11,17H2,1-3H3
InChIKeyXLXWBRUYQXSBPE-UHFFFAOYSA-N
XLogP1.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 102861578) is 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(CCCO)C2CCC2)C1(C)C.
What is the InChIKey of 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is XLXWBRUYQXSBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-13-11-16(17,15(13,2)3)14(20)18(9-6-10-19)12-7-5-8-12/h12-13,19H,4-11,17H2,1-3H3.
What are the key properties of 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 102861578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).