4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide

C20H30ClN3O3 — CID 68875804

IUPAC4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
SMILESCOCCCNC(=O)NCC1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O3/c1-27-12-2-11-22-20(26)24-14-16-5-3-15(4-6-16)13-23-19(25)17-7-9-18(21)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyAAVMDDYVYBRODB-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.21
Rot. Bonds9

About 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide

4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide (PubChem CID 68875804) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
PubChem CID68875804
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
SMILESCOCCCNC(=O)NCC1CCC(CNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O3/c1-27-12-2-11-22-20(26)24-14-16-5-3-15(4-6-16)13-23-19(25)17-7-9-18(21)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyAAVMDDYVYBRODB-UHFFFAOYSA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide with MolForge

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Related Compounds

4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
CID 47874249
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
4-chloro-N-[4-[3-(cyclopropylmethoxy)propylamino]-4-oxobutyl]benzamide
CID 55410421
1-[(4-chlorobenzoyl)amino]-3-(2-methoxyethyl)urea
CID 47133922
3-chloro-4-fluoro-N-(3-methoxypropyl)benzamide
CID 110764723
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99829031
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide (CID 68875804) is 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide is COCCCNC(=O)NCC1CCC(CNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide?
The InChIKey is AAVMDDYVYBRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-27-12-2-11-22-20(26)24-14-16-5-3-15(4-6-16)13-23-19(25)17-7-9-18(21)10-8-17/h7-10,15-16H,2-6,11-14H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide?
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide has a molecular weight of 395.93 g/mol, XLogP of 3.21, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 68875804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).