1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide

C16H30N2O3 — CID 106135055

IUPAC1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCCC(O)C2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-9-16(17,15(13,2)3)14(20)18-10-11-6-5-7-12(19)8-11/h11-13,19H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyNWMLNYAZAMXXSW-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.19
Rot. Bonds5

About 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 106135055) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID106135055
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)NCC2CCCC(O)C2)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-4-21-13-9-16(17,15(13,2)3)14(20)18-10-11-6-5-7-12(19)8-11/h11-13,19H,4-10,17H2,1-3H3,(H,18,20)
InChIKeyNWMLNYAZAMXXSW-UHFFFAOYSA-N
XLogP1.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-ethoxy-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclobutane-1-carboxamide
CID 107413102
1-amino-3-ethoxy-2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclobutane-1-carboxamide
CID 107295997
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122
2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 114829398
1-amino-3-ethoxy-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclobutane-1-carboxamide
CID 114829539
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 114829352
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-amino-3-ethoxy-2,2-dimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 114827756
1-amino-3-ethoxy-N-(1-ethylcyclobutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114829995

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide (CID 106135055) is 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)NCC2CCCC(O)C2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is NWMLNYAZAMXXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-13-9-16(17,15(13,2)3)14(20)18-10-11-6-5-7-12(19)8-11/h11-13,19H,4-10,17H2,1-3H3,(H,18,20).
What are the key properties of 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-[(3-hydroxycyclohexyl)methyl]-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 106135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).