cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C15H19ClN2O3 — CID 94182100

IUPACcis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-7-13(10)15(20)18-9-14(19)17-5-6-21-12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1
InChIKeyOQMYMFHDJTWXPN-GXFFZTMASA-N
MW310.78 g/mol
LogP1.61
Rot. Bonds7

About cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94182100) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94182100
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Namecis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-7-13(10)15(20)18-9-14(19)17-5-6-21-12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1
InChIKeyOQMYMFHDJTWXPN-GXFFZTMASA-N
XLogP1.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-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

cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94184091
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 51122290
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 124838795
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 94182100) is cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NCC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is OQMYMFHDJTWXPN-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-7-13(10)15(20)18-9-14(19)17-5-6-21-12-4-2-3-11(16)8-12/h2-4,8,10,13H,5-7,9H2,1H3,(H,17,19)(H,18,20)/t10-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94182100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).