N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

C23H40N4O5 — CID 15490895

IUPACN-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESCCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C23H40N4O5/c1-5-6-10-17(18(28)19(29)25-22(2,3)4)24-20(30)23(11-8-7-9-12-23)26-21(31)27-13-15-32-16-14-27/h17H,5-16H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t17-/m0/s1
InChIKeyBPUKZWWGKBJNAP-KRWDZBQOSA-N
MW452.60 g/mol
LogP1.89
Rot. Bonds8

About N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (PubChem CID 15490895) has the molecular formula C23H40N4O5 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
PubChem CID15490895
Molecular FormulaC23H40N4O5
Molecular Weight452.60 g/mol
Exact Mass452.30
IUPAC NameN-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESCCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C23H40N4O5/c1-5-6-10-17(18(28)19(29)25-22(2,3)4)24-20(30)23(11-8-7-9-12-23)26-21(31)27-13-15-32-16-14-27/h17H,5-16H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t17-/m0/s1
InChIKeyBPUKZWWGKBJNAP-KRWDZBQOSA-N
XLogP1.89
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-((1S)-2-((4-cyano-1-methylpiperidin-4-yl)amino)-1-(cyclohexylmethyl)-2-oxoethyl)morpholine-4-carboxamide
CID 9887557
N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-5,5-dimethyl-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 10409137
1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
Morpholine-4-carboxylic acid {1-[(cyano-dimethyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 10893503
Morpholine-4-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353509
methyl (2R)-1-(cyclohexanecarbonyl)-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 7161630
(2R)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
CID 7164976
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7673729
N-(1,4-diisocyanobutyl)-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 135003764
N-[(2S)-1-[[1-[2-(cyclopropylamino)-2-oxoacetyl]-3,3-difluorocyclobutyl]amino]-3-(1-methylcyclobutyl)-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 46240777
1-Cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 1444523

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (CID 15490895) is N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is CCCC[C@H](NC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)C(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The InChIKey is BPUKZWWGKBJNAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H40N4O5/c1-5-6-10-17(18(28)19(29)25-22(2,3)4)24-20(30)23(11-8-7-9-12-23)26-21(31)27-13-15-32-16-14-27/h17H,5-16H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t17-/m0/s1.
What are the key properties of N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3S)-1-(tert-butylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 15490895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).