3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide

C24H38N4O3 — CID 46417626

IUPAC3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CN(Cc2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O3/c1-18-15-28(16-19(2)31-18)17-21-10-8-20(9-11-21)14-26-23(29)12-13-25-24(30)27-22-6-4-3-5-7-22/h8-11,18-19,22H,3-7,12-17H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyNDHKTUXHRGKOPV-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.93
Rot. Bonds8

About 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide (PubChem CID 46417626) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
PubChem CID46417626
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CN(Cc2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O3/c1-18-15-28(16-19(2)31-18)17-21-10-8-20(9-11-21)14-26-23(29)12-13-25-24(30)27-22-6-4-3-5-7-22/h8-11,18-19,22H,3-7,12-17H2,1-2H3,(H,26,29)(H2,25,27,30)
InChIKeyNDHKTUXHRGKOPV-UHFFFAOYSA-N
XLogP2.93
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide
CID 46449436
2-[cyclopropyl(methyl)amino]-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]acetamide
CID 60503915
[2-(cyclooctylamino)-2-oxoethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55737534
1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
CID 18152043
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 55637143
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
2-N-cyclopropyl-1-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 112835371
1-cyclohexyl-2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047313
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
trans-(1R,2R)-N-[3-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 100853179

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide (CID 46417626) is 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide is CC1CN(Cc2ccc(CNC(=O)CCNC(=O)NC3CCCCC3)cc2)CC(C)O1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is NDHKTUXHRGKOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-18-15-28(16-19(2)31-18)17-21-10-8-20(9-11-21)14-26-23(29)12-13-25-24(30)27-22-6-4-3-5-7-22/h8-11,18-19,22H,3-7,12-17H2,1-2H3,(H,26,29)(H2,25,27,30).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 430.59 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46417626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).