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4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide

C15H21N3O3 — CID 60849251

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H21N3O3/c16-11-6-4-10(5-7-11)15(20)18-12-2-1-3-13(8-12)21-9-14(17)19/h1-3,8,10-11H,4-7,9,16H2,(H2,17,19)(H,18,20)
InChIKeyVEAHOFJVQUAIQY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.01
Rot. Bonds5

About 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide

4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 60849251) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID60849251
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)C2CCC(N)CC2)c1
InChIInChI=1S/C15H21N3O3/c16-11-6-4-10(5-7-11)15(20)18-12-2-1-3-13(8-12)21-9-14(17)19/h1-3,8,10-11H,4-7,9,16H2,(H2,17,19)(H,18,20)
InChIKeyVEAHOFJVQUAIQY-UHFFFAOYSA-N
XLogP1.01
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide (CID 60849251) is 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide is NC(=O)COc1cccc(NC(=O)C2CCC(N)CC2)c1.
What is the InChIKey of 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is VEAHOFJVQUAIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-11-6-4-10(5-7-11)15(20)18-12-2-1-3-13(8-12)21-9-14(17)19/h1-3,8,10-11H,4-7,9,16H2,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60849251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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