cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C18H26N2O3 — CID 94620545

IUPACcis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C18H26N2O3/c1-12-8-13(2)10-15(9-12)23-7-6-19-17(21)4-5-20-18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeyCRPBETAPKGRKTC-ZBFHGGJFSA-N
MW318.42 g/mol
LogP1.96
Rot. Bonds8

About cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94620545) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94620545
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namecis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1
InChIInChI=1S/C18H26N2O3/c1-12-8-13(2)10-15(9-12)23-7-6-19-17(21)4-5-20-18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1
InChIKeyCRPBETAPKGRKTC-ZBFHGGJFSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-(3-methylphenoxy)butanamide
CID 1565322
N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 1720819
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
3-cyclopropyl-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 9971862
1-cyclopropyl-2-(3,5-dimethylphenoxy)-N-(2-methoxyethyl)ethanamine;hydrochloride
CID 162315529
2,2-dimethyl-3-(2-methylprop-1-en-1-yl)-N-(2-phenoxyethyl)cyclopropanecarboxamide
CID 5296031
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107
N-[2-(4-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 2195545
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 4280274
N-(cyclopropylmethyl)-11-(3-methoxy-5-pentylphenoxy)undecanamide
CID 156018017
CB1/2 agonist 3
CID 156020907
N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylpropanamide
CID 2876922

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94620545) is cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is Cc1cc(C)cc(OCCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)c1.
What is the InChIKey of cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is CRPBETAPKGRKTC-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-8-13(2)10-15(9-12)23-7-6-19-17(21)4-5-20-18(22)16-11-14(16)3/h8-10,14,16H,4-7,11H2,1-3H3,(H,19,21)(H,20,22)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94620545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).