1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide

C15H28N2O2 — CID 114828666

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCN(C(=O)C1(N)CC(OCC)C1(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-9-17(11(3)4)13(18)15(16)10-12(19-8-2)14(15,5)6/h7,11-12H,1,8-10,16H2,2-6H3
InChIKeyOGTOGUCFVCUXBR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.94
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide (PubChem CID 114828666) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide
PubChem CID114828666
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide
SMILESC=CCN(C(=O)C1(N)CC(OCC)C1(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-9-17(11(3)4)13(18)15(16)10-12(19-8-2)14(15,5)6/h7,11-12H,1,8-10,16H2,2-6H3
InChIKeyOGTOGUCFVCUXBR-UHFFFAOYSA-N
XLogP1.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
CID 120607801
1-amino-3-ethoxy-N-ethyl-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828043
1-amino-3-ethoxy-N-methoxy-N,2,2-trimethylcyclobutane-1-carboxamide
CID 114828939
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(2-hydroxyethyl)-2,2-dimethyl-N-propylcyclobutane-1-carboxamide
CID 114828620
methyl 2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]-3-methylbutanoate
CID 114828888
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
CID 138991439
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-[(2S)-1-hydroxypropan-2-yl]-2,2-dimethylcyclobutane-1-carboxamide
CID 107219003

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide (CID 114828666) is 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide is C=CCN(C(=O)C1(N)CC(OCC)C1(C)C)C(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide?
The InChIKey is OGTOGUCFVCUXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-9-17(11(3)4)13(18)15(16)10-12(19-8-2)14(15,5)6/h7,11-12H,1,8-10,16H2,2-6H3.
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-yl-N-prop-2-enylcyclobutane-1-carboxamide is sourced from PubChem (CID 114828666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).