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

C17H24N2O3 — CID 94178640

IUPACcis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C17H24N2O3/c1-12-10-15(12)17(21)19-9-7-16(20)18-8-6-13-4-3-5-14(11-13)22-2/h3-5,11-12,15H,6-10H2,1-2H3,(H,18,20)(H,19,21)/t12-,15+/m0/s1
InChIKeyYVBPCXVVXITIFP-SWLSCSKDSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds8

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

cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94178640) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94178640
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namecis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C17H24N2O3/c1-12-10-15(12)17(21)19-9-7-16(20)18-8-6-13-4-3-5-14(11-13)22-2/h3-5,11-12,15H,6-10H2,1-2H3,(H,18,20)(H,19,21)/t12-,15+/m0/s1
InChIKeyYVBPCXVVXITIFP-SWLSCSKDSA-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

tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
N-[2-(3-methoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103808813
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108901083

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94178640) is cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1cccc(CCNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1.
What is the InChIKey of cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YVBPCXVVXITIFP-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-10-15(12)17(21)19-9-7-16(20)18-8-6-13-4-3-5-14(11-13)22-2/h3-5,11-12,15H,6-10H2,1-2H3,(H,18,20)(H,19,21)/t12-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[2-(3-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 cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94178640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).