1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide

C14H20N2O2 — CID 83305851

IUPAC1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-16-13(17)14(15)3-4-14/h7-9H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyKCQNABUTYZXWQI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds5

About 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 83305851) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID83305851
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2(N)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-16-13(17)14(15)3-4-14/h7-9H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyKCQNABUTYZXWQI-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
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-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
2-[2-(3,5-dimethylphenoxy)ethylamino]-2-oxoacetic acid
CID 82129666
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylpentanamide
CID 119746790
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-butyl-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112973945
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide (CID 83305851) is 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide is Cc1cc(C)cc(OCCNC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is KCQNABUTYZXWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-16-13(17)14(15)3-4-14/h7-9H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 83305851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).