1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide

C17H26N2O3 — CID 119302836

IUPAC1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-14-6-8-15(9-7-14)22-13-5-12-19-16(20)17(18)10-3-2-4-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyDDRDEQGEKXUDMZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.24
Rot. Bonds7

About 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide

1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide (PubChem CID 119302836) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
PubChem CID119302836
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-14-6-8-15(9-7-14)22-13-5-12-19-16(20)17(18)10-3-2-4-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20)
InChIKeyDDRDEQGEKXUDMZ-UHFFFAOYSA-N
XLogP2.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide (CID 119302836) is 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide is COc1ccc(OCCCNC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
The InChIKey is DDRDEQGEKXUDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-14-6-8-15(9-7-14)22-13-5-12-19-16(20)17(18)10-3-2-4-11-17/h6-9H,2-5,10-13,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119302836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).