1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide

C15H26N2O2 — CID 114829759

IUPAC1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide
SMILESC#CCN(CCC)C(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-6-9-17(10-7-2)13(18)15(16)11-12(19-8-3)14(15,4)5/h1,12H,7-11,16H2,2-5H3
InChIKeyCAPVKARPMKVSHZ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.39
Rot. Bonds6

About 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide

1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide (PubChem CID 114829759) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide
PubChem CID114829759
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide
SMILESC#CCN(CCC)C(=O)C1(N)CC(OCC)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-6-9-17(10-7-2)13(18)15(16)11-12(19-8-3)14(15,4)5/h1,12H,7-11,16H2,2-5H3
InChIKeyCAPVKARPMKVSHZ-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-ethoxy-N-(2-hydroxyethyl)-2,2-dimethyl-N-propylcyclobutane-1-carboxamide
CID 114828620
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 114828630
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-dimethylcyclobutane-1-carboxamide
CID 114827911
trans-(1R,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 97300458
1-amino-3-ethoxy-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
CID 120607801
1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 102861578
1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 105055949
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide (CID 114829759) is 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide is C#CCN(CCC)C(=O)C1(N)CC(OCC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide?
The InChIKey is CAPVKARPMKVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-9-17(10-7-2)13(18)15(16)11-12(19-8-3)14(15,4)5/h1,12H,7-11,16H2,2-5H3.
What are the key properties of 1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.39, 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-propyl-N-prop-2-ynylcyclobutane-1-carboxamide is sourced from PubChem (CID 114829759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).