cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

C18H31N3O4 — CID 124738964

IUPACcis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C18H31N3O4/c1-13-10-15(13)18(23)19-4-2-17(22)20-11-16(14-3-7-25-12-14)21-5-8-24-9-6-21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,14-,15+,16-/m1/s1
InChIKeyRWVBIFSTKXICRG-LVQVYYBASA-N
MW353.46 g/mol
LogP0.00
Rot. Bonds8

About cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 124738964) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID124738964
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Namecis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C18H31N3O4/c1-13-10-15(13)18(23)19-4-2-17(22)20-11-16(14-3-7-25-12-14)21-5-8-24-9-6-21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,14-,15+,16-/m1/s1
InChIKeyRWVBIFSTKXICRG-LVQVYYBASA-N
XLogP0.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 55603155
tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55603240
2-methyl-1-(2-methylcyclopropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 111937506
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
3-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55712477
(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 52529855
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]acetamide
CID 55602811
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 124738964) is cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is RWVBIFSTKXICRG-LVQVYYBASA-N. The full InChI is InChI=1S/C18H31N3O4/c1-13-10-15(13)18(23)19-4-2-17(22)20-11-16(14-3-7-25-12-14)21-5-8-24-9-6-21/h13-16H,2-12H2,1H3,(H,19,23)(H,20,22)/t13-,14-,15+,16-/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124738964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).