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

C22H39N3O6 — CID 151213821

IUPACN-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide
SMILESCCCC[C@@H](C(=O)C(=O)NCC(OC)OC)N(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C22H39N3O6/c1-4-5-11-18(20(26)21(27)23-16-19(29-2)30-3)25(17-9-7-6-8-10-17)22(28)24-12-14-31-15-13-24/h17-19H,4-16H2,1-3H3,(H,23,27)/t18-/m0/s1
InChIKeyNKVKVHNDLVZLSZ-SFHVURJKSA-N
MW441.57 g/mol
LogP1.94
Rot. Bonds11

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

N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide (PubChem CID 151213821) has the molecular formula C22H39N3O6 and a molecular weight of 441.57 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide
PubChem CID151213821
Molecular FormulaC22H39N3O6
Molecular Weight441.57 g/mol
Exact Mass441.28
IUPAC NameN-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide
SMILESCCCC[C@@H](C(=O)C(=O)NCC(OC)OC)N(C(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C22H39N3O6/c1-4-5-11-18(20(26)21(27)23-16-19(29-2)30-3)25(17-9-7-6-8-10-17)22(28)24-12-14-31-15-13-24/h17-19H,4-16H2,1-3H3,(H,23,27)/t18-/m0/s1
InChIKeyNKVKVHNDLVZLSZ-SFHVURJKSA-N
XLogP1.94
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxohexan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 67608027
N-[1-[[1-(2,2-dimethoxyethylamino)-1,2-dioxooct-4-yn-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 163430903
N'-cyclobutyl-N-(2,2-dimethoxyethyl)oxamide
CID 166103905
N-[1-[[1-(cyclobutylamino)-1,2-dioxoheptan-3-yl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
CID 57304209
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
CID 3091
2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 116657762
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]hexanoate
CID 102863957

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide (CID 151213821) is N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide is CCCC[C@@H](C(=O)C(=O)NCC(OC)OC)N(C(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide?
The InChIKey is NKVKVHNDLVZLSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H39N3O6/c1-4-5-11-18(20(26)21(27)23-16-19(29-2)30-3)25(17-9-7-6-8-10-17)22(28)24-12-14-31-15-13-24/h17-19H,4-16H2,1-3H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide?
N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide has a molecular weight of 441.57 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3S)-1-(2,2-dimethoxyethylamino)-1,2-dioxoheptan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 151213821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).