N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

C22H30N4O6 — CID 142106245

IUPACN-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESO=C(CCNC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H30N4O6/c27-19(24-16-4-5-17-18(14-16)32-15-31-17)6-9-23-20(28)22(7-2-1-3-8-22)25-21(29)26-10-12-30-13-11-26/h4-5,14H,1-3,6-13,15H2,(H,23,28)(H,24,27)(H,25,29)
InChIKeyMTPHXXQCLDVQEX-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.60
Rot. Bonds6

About N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide

N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (PubChem CID 142106245) has the molecular formula C22H30N4O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
PubChem CID142106245
Molecular FormulaC22H30N4O6
Molecular Weight446.50 g/mol
Exact Mass446.22
IUPAC NameN-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide
SMILESO=C(CCNC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H30N4O6/c27-19(24-16-4-5-17-18(14-16)32-15-31-17)6-9-23-20(28)22(7-2-1-3-8-22)25-21(29)26-10-12-30-13-11-26/h4-5,14H,1-3,6-13,15H2,(H,23,28)(H,24,27)(H,25,29)
InChIKeyMTPHXXQCLDVQEX-UHFFFAOYSA-N
XLogP1.60
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 38766641
N-(1,3-benzodioxol-5-yl)-1-[(2-thiophen-2-ylacetyl)amino]cyclohexane-1-carboxamide
CID 3575801
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17476459
N-(1,3-benzodioxol-5-yl)-1-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]cyclohexane-1-carboxamide
CID 4537265
N-(1,3-benzodioxol-5-yl)-2-(1,4-diazaspiro[5.5]undecan-1-yl)acetamide
CID 119933392

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide (CID 142106245) is N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is O=C(CCNC(=O)C1(NC(=O)N2CCOCC2)CCCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
The InChIKey is MTPHXXQCLDVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6/c27-19(24-16-4-5-17-18(14-16)32-15-31-17)6-9-23-20(28)22(7-2-1-3-8-22)25-21(29)26-10-12-30-13-11-26/h4-5,14H,1-3,6-13,15H2,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide?
N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamoyl]cyclohexyl]morpholine-4-carboxamide is sourced from PubChem (CID 142106245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).