1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide

C18H28N2O2 — CID 119296017

IUPAC1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)15-6-8-16(9-7-15)22-13-12-20-17(21)18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13,19H2,1-2H3,(H,20,21)
InChIKeyMZSCDRALMUOAPN-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.97
Rot. Bonds6

About 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 119296017) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID119296017
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)c1ccc(OCCNC(=O)C2(N)CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-14(2)15-6-8-16(9-7-15)22-13-12-20-17(21)18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13,19H2,1-2H3,(H,20,21)
InChIKeyMZSCDRALMUOAPN-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119320030
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 111618593
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide (CID 119296017) is 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide is CC(C)c1ccc(OCCNC(=O)C2(N)CCCCC2)cc1.
What is the InChIKey of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MZSCDRALMUOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)15-6-8-16(9-7-15)22-13-12-20-17(21)18(19)10-4-3-5-11-18/h6-9,14H,3-5,10-13,19H2,1-2H3,(H,20,21).
What are the key properties of 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119296017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).