N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide

C17H31N3O3 — CID 59414130

IUPACN-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCNC(=O)[C@H](CC1CCCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C17H31N3O3/c1-2-18-16(21)15(13-14-7-5-3-4-6-8-14)19-17(22)20-9-11-23-12-10-20/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyJJNOTAPJJVMLKK-HNNXBMFYSA-N
MW325.45 g/mol
LogP1.89
Rot. Bonds5

About N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 59414130) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID59414130
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCCNC(=O)[C@H](CC1CCCCCC1)NC(=O)N1CCOCC1
InChIInChI=1S/C17H31N3O3/c1-2-18-16(21)15(13-14-7-5-3-4-6-8-14)19-17(22)20-9-11-23-12-10-20/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyJJNOTAPJJVMLKK-HNNXBMFYSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoic acid
CID 11781067
[(2S)-3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 59414047
4-cyano-4-[[3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]piperidine-1-carboxylic acid
CID 22063230
N-[1-[(4-cyano-1,3-dimethylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260549
N-[1-[(4-cyano-1,2-dipropylpiperidin-4-yl)amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260427
N-[1-[[4-cyano-1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 131724467
N-(1-cyclopropylpropan-2-yl)morpholine-4-carboxamide
CID 115624308
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
tert-butyl N-[3-cyclohexyl-1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 68714876
N-[1-[[3-cyano-1-(4-methylcyclohexyl)pyrrolidin-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 22260593
N-[(2S)-3-cyclohexyl-1-[[(2S)-1-(4-hydroxyanilino)-4-sulfanylbutan-2-yl]amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 89041309
ethyl 2-[[(3S)-3-[[(2S)-3-cyclohexyl-2-(morpholine-4-carbonylamino)propanoyl]amino]-2-hydroxy-4-phenylmethoxybutanoyl]amino]acetate
CID 46832806

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 59414130) is N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide is CCNC(=O)[C@H](CC1CCCCCC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is JJNOTAPJJVMLKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-2-18-16(21)15(13-14-7-5-3-4-6-8-14)19-17(22)20-9-11-23-12-10-20/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-cycloheptyl-1-(ethylamino)-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 59414130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).