cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C18H23N3O2 — CID 94800980

IUPACcis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCn1ccc2cc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)ccc21
InChIInChI=1S/C18H23N3O2/c1-3-21-9-7-13-11-14(4-5-16(13)21)20-17(22)6-8-19-18(23)15-10-12(15)2/h4-5,7,9,11-12,15H,3,6,8,10H2,1-2H3,(H,19,23)(H,20,22)/t12-,15+/m0/s1
InChIKeyXXHYERQHHIXUPO-SWLSCSKDSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds6

About cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94800980) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94800980
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Namecis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCCn1ccc2cc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)ccc21
InChIInChI=1S/C18H23N3O2/c1-3-21-9-7-13-11-14(4-5-16(13)21)20-17(22)6-8-19-18(23)15-10-12(15)2/h4-5,7,9,11-12,15H,3,6,8,10H2,1-2H3,(H,19,23)(H,20,22)/t12-,15+/m0/s1
InChIKeyXXHYERQHHIXUPO-SWLSCSKDSA-N
XLogP2.76
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 32580350
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
CID 96997581
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
trans-(1R,2R)-N-[3-(3-chloro-4-imidazol-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95278022
2-[5-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]indol-1-yl]acetic acid
CID 119235492
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401
cis-(1R,2S)-N-[3-[3-fluoro-4-(2-methylimidazol-1-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94535759
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271
N-(1-ethylindol-5-yl)-2-thiophen-2-ylacetamide
CID 47083789
N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
cis-(1S,2R)-N-[3-(4-chloro-2-methylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38741503

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94800980) is cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CCn1ccc2cc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)ccc21.
What is the InChIKey of cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is XXHYERQHHIXUPO-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21-9-7-13-11-14(4-5-16(13)21)20-17(22)6-8-19-18(23)15-10-12(15)2/h4-5,7,9,11-12,15H,3,6,8,10H2,1-2H3,(H,19,23)(H,20,22)/t12-,15+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.76, 6 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-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94800980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).