4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide

C25H35N3O3 — CID 71682499

IUPAC4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyUHCRWCSTKBZBFL-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.00
Rot. Bonds5

About 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide

4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide (PubChem CID 71682499) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide
PubChem CID71682499
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1
InChIInChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyUHCRWCSTKBZBFL-UHFFFAOYSA-N
XLogP4.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid
CID 16038368
N-{[1-(dimethylamino)cyclohexyl]methyl}-4-(propan-2-yloxy)benzamide
CID 2559755
4-Ethoxy-N-(2,2,6,6-tetramethyl-piperidin-4-yl)-benzamide
CID 2940561
N-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-4-ethoxy-benzamide
CID 6489658
N-(3,3-Dimethyl-cyclohexylmethyl)-4-hexyloxy-benzamide
CID 10914954
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1R)-1-phenylethyl]benzamide
CID 42623200
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzamide
CID 42623269
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 42623272
1-(1-Adamantyl)-3-[4-[4-(2-methoxyacetyl)phenoxy]cyclohexyl]urea
CID 59168656
4-[(E)-4-amino-2-fluorobut-2-enoxy]-N-(1-phenylethyl)benzamide
CID 59588969
N-((4-methoxyphenethyl)carbamoyl)-4-phenoxybenzamide
CID 110876921
N-[2-(4-methoxyphenyl)ethylcarbamoyl]-4-phenylmethoxybenzamide
CID 117948184

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide?
The IUPAC name of 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide (CID 71682499) is 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide.
What is the SMILES notation for 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide?
The canonical SMILES for 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide is CNC(=O)c1ccc(OC2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1.
What is the InChIKey of 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide?
The InChIKey is UHCRWCSTKBZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-26-23(29)19-2-6-21(7-3-19)31-22-8-4-20(5-9-22)27-24(30)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-3,6-7,16-18,20,22H,4-5,8-15H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide?
4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide has a molecular weight of 425.57 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxy-N-methylbenzamide is sourced from PubChem (CID 71682499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).