cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide

C21H35N3O4 — CID 59066412

IUPACcis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@@]1(NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1)C(N)=O
InChIInChI=1S/C21H35N3O4/c1-2-17-14-21(17,20(22)27)23-19(26)16(12-15-6-4-3-5-7-15)13-18(25)24-8-10-28-11-9-24/h15-17H,2-14H2,1H3,(H2,22,27)(H,23,26)/t16-,17-,21+/m1/s1
InChIKeyKTTNMHIDRAQSQB-LZJOCLMNSA-N
MW393.53 g/mol
LogP1.59
Rot. Bonds8

About cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide

cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide (PubChem CID 59066412) has the molecular formula C21H35N3O4 and a molecular weight of 393.53 g/mol. Its IUPAC name is cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
PubChem CID59066412
Molecular FormulaC21H35N3O4
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Namecis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
SMILESCC[C@@H]1C[C@@]1(NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1)C(N)=O
InChIInChI=1S/C21H35N3O4/c1-2-17-14-21(17,20(22)27)23-19(26)16(12-15-6-4-3-5-7-15)13-18(25)24-8-10-28-11-9-24/h15-17H,2-14H2,1H3,(H2,22,27)(H,23,26)/t16-,17-,21+/m1/s1
InChIKeyKTTNMHIDRAQSQB-LZJOCLMNSA-N
XLogP1.59
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 91319141
N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972960
(2R)-N-[3-cyano-1-(3,3-dimethylcyclohexyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972940
(2R)-N-[(3S)-3-cyano-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 20601567
(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91420232
(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 22054086
(2R)-N-(3-cyano-1-cyclohexylpyrrolidin-3-yl)-2-[(4-methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 70078177
tert-butyl (3S,4E)-4-(carbamoylhydrazinylidene)-3-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]butanoate
CID 58999663
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanal
CID 142042653
N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
CID 44566073

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide (CID 59066412) is cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide is CC[C@@H]1C[C@@]1(NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1)C(N)=O.
What is the InChIKey of cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide?
The InChIKey is KTTNMHIDRAQSQB-LZJOCLMNSA-N. The full InChI is InChI=1S/C21H35N3O4/c1-2-17-14-21(17,20(22)27)23-19(26)16(12-15-6-4-3-5-7-15)13-18(25)24-8-10-28-11-9-24/h15-17H,2-14H2,1H3,(H2,22,27)(H,23,26)/t16-,17-,21+/m1/s1.
What are the key properties of cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide?
cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 59066412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).