cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C17H24N2O3 — CID 94184091

IUPACcis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-11-5-4-6-12(2)16(11)22-8-7-18-15(20)10-19-17(21)14-9-13(14)3/h4-6,13-14H,7-10H2,1-3H3,(H,18,20)(H,19,21)/t13-,14+/m0/s1
InChIKeyBSGFBFLJTSJDPJ-UONOGXRCSA-N
MW304.39 g/mol
LogP1.57
Rot. Bonds7

About cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94184091) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94184091
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namecis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-11-5-4-6-12(2)16(11)22-8-7-18-15(20)10-19-17(21)14-9-13(14)3/h4-6,13-14H,7-10H2,1-3H3,(H,18,20)(H,19,21)/t13-,14+/m0/s1
InChIKeyBSGFBFLJTSJDPJ-UONOGXRCSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.57
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

cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
(3S,4S)-1-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
CID 128987186
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
CID 113100718
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897538
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 94184091) is cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is Cc1cccc(C)c1OCCNC(=O)CNC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BSGFBFLJTSJDPJ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-5-4-6-12(2)16(11)22-8-7-18-15(20)10-19-17(21)14-9-13(14)3/h4-6,13-14H,7-10H2,1-3H3,(H,18,20)(H,19,21)/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.57, 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-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94184091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).