1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide

C14H27N3O3 — CID 105055949

IUPAC1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)CCC(=O)NC)C1(C)C
InChIInChI=1S/C14H27N3O3/c1-6-20-10-9-14(15,13(10,2)3)12(19)17(5)8-7-11(18)16-4/h10H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyHDRNRQZLBIAWKF-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.11
Rot. Bonds6

About 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide

1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide (PubChem CID 105055949) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
PubChem CID105055949
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)N(C)CCC(=O)NC)C1(C)C
InChIInChI=1S/C14H27N3O3/c1-6-20-10-9-14(15,13(10,2)3)12(19)17(5)8-7-11(18)16-4/h10H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyHDRNRQZLBIAWKF-UHFFFAOYSA-N
XLogP0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-N,2,2-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide;hydrochloride
CID 120607801
1-amino-3-ethoxy-N-(2-hydroxyethyl)-2,2-dimethyl-N-propylcyclobutane-1-carboxamide
CID 114828620
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-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-2,2-dimethyl-N-[1-(methylamino)-1-oxopropan-2-yl]cyclobutane-1-carboxamide
CID 114828983
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-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-propyl-N-prop-2-ynylcyclobutane-1-carboxamide
CID 114829759
1-amino-N-cyclobutyl-3-ethoxy-N-(3-hydroxypropyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 102861578

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide (CID 105055949) is 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)N(C)CCC(=O)NC)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
The InChIKey is HDRNRQZLBIAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-6-20-10-9-14(15,13(10,2)3)12(19)17(5)8-7-11(18)16-4/h10H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide?
1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N,2,2-trimethyl-N-[3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 105055949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).