cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide

C16H20N2O2 — CID 96997581

IUPACcis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(ccn2CC)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-8-7-11-9-12(5-6-14(11)18)17-16(19)13-10-15(13)20-4-2/h5-9,13,15H,3-4,10H2,1-2H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyQAIGEBZKFNGCOE-DZGCQCFKSA-N
MW272.35 g/mol
LogP3.02
Rot. Bonds5

About cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide (PubChem CID 96997581) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
PubChem CID96997581
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namecis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
SMILESCCO[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(ccn2CC)c1
InChIInChI=1S/C16H20N2O2/c1-3-18-8-7-11-9-12(5-6-14(11)18)17-16(19)13-10-15(13)20-4-2/h5-9,13,15H,3-4,10H2,1-2H3,(H,17,19)/t13-,15+/m0/s1
InChIKeyQAIGEBZKFNGCOE-DZGCQCFKSA-N
XLogP3.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759
cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94800980
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 129414772
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
(2R)-2-(2-ethoxyethoxy)-N-(1-ethylindol-5-yl)propanamide
CID 94389998
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-(1-ethylindol-5-yl)-2-oxoacetamide
CID 166210920
N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 60514684
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
N-(1-propylindol-5-yl)pyrrolidine-2-carboxamide
CID 119865612
N-(1-ethylindol-5-yl)-2-thiophen-2-ylacetamide
CID 47083789

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide (CID 96997581) is cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide is CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(ccn2CC)c1.
What is the InChIKey of cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is QAIGEBZKFNGCOE-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-18-8-7-11-9-12(5-6-14(11)18)17-16(19)13-10-15(13)20-4-2/h5-9,13,15H,3-4,10H2,1-2H3,(H,17,19)/t13-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 96997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).