trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C17H24N2O3 — CID 94164156

IUPACtrans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-11-14(12)17(21)19-10-8-16(20)18-9-7-13-5-3-4-6-15(13)22-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1
InChIKeyWXOQMVJDMQLXIX-JSGCOSHPSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds8

About trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94164156) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94164156
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametrans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-11-14(12)17(21)19-10-8-16(20)18-9-7-13-5-3-4-6-15(13)22-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1
InChIKeyWXOQMVJDMQLXIX-JSGCOSHPSA-N
XLogP1.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124674779
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
N-[2-(2-methoxyphenyl)ethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959283
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94164156) is trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1ccccc1CCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WXOQMVJDMQLXIX-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-11-14(12)17(21)19-10-8-16(20)18-9-7-13-5-3-4-6-15(13)22-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94164156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).